N-[[6-[[cyclopropylmethyl(prop-2-ynyl)amino]methyl]-2-pyridinyl]methyl]-2-methylpropan-1-amine

C18H27N3 — CID 106906951

IUPACN-[[6-[[cyclopropylmethyl(prop-2-ynyl)amino]methyl]-2-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESC#CCN(Cc1cccc(CNCC(C)C)n1)CC1CC1
InChIInChI=1S/C18H27N3/c1-4-10-21(13-16-8-9-16)14-18-7-5-6-17(20-18)12-19-11-15(2)3/h1,5-7,15-16,19H,8-14H2,2-3H3
InChIKeyIHPNGRGVQLOXRQ-UHFFFAOYSA-N
MW285.44 g/mol
LogP2.67
Rot. Bonds9

About N-[[6-[[cyclopropylmethyl(prop-2-ynyl)amino]methyl]-2-pyridinyl]methyl]-2-methylpropan-1-amine

N-[[6-[[cyclopropylmethyl(prop-2-ynyl)amino]methyl]-2-pyridinyl]methyl]-2-methylpropan-1-amine (PubChem CID 106906951) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is N-[[6-[[cyclopropylmethyl(prop-2-ynyl)amino]methyl]-2-pyridinyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[6-[[cyclopropylmethyl(prop-2-ynyl)amino]methyl]-2-pyridinyl]methyl]-2-methylpropan-1-amine
PubChem CID106906951
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC NameN-[[6-[[cyclopropylmethyl(prop-2-ynyl)amino]methyl]-2-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESC#CCN(Cc1cccc(CNCC(C)C)n1)CC1CC1
InChIInChI=1S/C18H27N3/c1-4-10-21(13-16-8-9-16)14-18-7-5-6-17(20-18)12-19-11-15(2)3/h1,5-7,15-16,19H,8-14H2,2-3H3
InChIKeyIHPNGRGVQLOXRQ-UHFFFAOYSA-N
XLogP2.67
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-[[6-[[cyclopropylmethyl(prop-2-ynyl)amino]methyl]-2-pyridinyl]methyl]-2-methylpropan-1-amine with MolForge

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Related Compounds

N-(cyclopropylmethyl)-6-[(2-methylpropylamino)methyl]-N-propan-2-ylpyridin-2-amine
CID 62287283
2-methyl-N-[[6-[[methyl(propyl)amino]methyl]-2-pyridinyl]methyl]propan-1-amine
CID 106905697
N-methyl-N-[[6-[(2-methylpropylamino)methyl]-2-pyridinyl]methyl]pentan-3-amine
CID 106905878
N-[[4-[[cyclopropylmethyl(propyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine
CID 62431123
6-[[cyclopropylmethyl(ethyl)amino]methyl]-N-ethylpyridin-2-amine
CID 79233919
N-[[4-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine
CID 63939310
N-cyclopropyl-N-(2-methylpropyl)-6-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62294577
N-[[4-[[cyclobutylmethyl(ethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 107402089
N-[[3-[[cyclopropylmethyl(propan-2-yl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine
CID 62413210
2-methyl-N-[[6-(oxolan-3-ylmethoxy)-2-pyridinyl]methyl]propan-1-amine
CID 62322968
N-(cyclopropylmethyl)-N-ethyl-2-[(2-methylpropylamino)methyl]pyridin-4-amine
CID 63940070
2-methyl-N-[[6-(oxolan-3-yloxy)-2-pyridinyl]methyl]propan-1-amine
CID 63557509

Frequently Asked Questions

What is the IUPAC name of N-[[6-[[cyclopropylmethyl(prop-2-ynyl)amino]methyl]-2-pyridinyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[6-[[cyclopropylmethyl(prop-2-ynyl)amino]methyl]-2-pyridinyl]methyl]-2-methylpropan-1-amine (CID 106906951) is N-[[6-[[cyclopropylmethyl(prop-2-ynyl)amino]methyl]-2-pyridinyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[6-[[cyclopropylmethyl(prop-2-ynyl)amino]methyl]-2-pyridinyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[6-[[cyclopropylmethyl(prop-2-ynyl)amino]methyl]-2-pyridinyl]methyl]-2-methylpropan-1-amine is C#CCN(Cc1cccc(CNCC(C)C)n1)CC1CC1.
What is the InChIKey of N-[[6-[[cyclopropylmethyl(prop-2-ynyl)amino]methyl]-2-pyridinyl]methyl]-2-methylpropan-1-amine?
The InChIKey is IHPNGRGVQLOXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-4-10-21(13-16-8-9-16)14-18-7-5-6-17(20-18)12-19-11-15(2)3/h1,5-7,15-16,19H,8-14H2,2-3H3.
What are the key properties of N-[[6-[[cyclopropylmethyl(prop-2-ynyl)amino]methyl]-2-pyridinyl]methyl]-2-methylpropan-1-amine?
N-[[6-[[cyclopropylmethyl(prop-2-ynyl)amino]methyl]-2-pyridinyl]methyl]-2-methylpropan-1-amine has a molecular weight of 285.44 g/mol, XLogP of 2.67, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[[cyclopropylmethyl(prop-2-ynyl)amino]methyl]-2-pyridinyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 106906951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).