N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-N-propan-2-ylpentan-1-amine

C17H31N3 — CID 106906306

IUPACN-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-N-propan-2-ylpentan-1-amine
SMILESCCCCCN(Cc1cccc(CNCC)n1)C(C)C
InChIInChI=1S/C17H31N3/c1-5-7-8-12-20(15(3)4)14-17-11-9-10-16(19-17)13-18-6-2/h9-11,15,18H,5-8,12-14H2,1-4H3
InChIKeyNLQBBNVBYYYMTQ-UHFFFAOYSA-N
MW277.46 g/mol
LogP3.59
Rot. Bonds10

About N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-N-propan-2-ylpentan-1-amine

N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-N-propan-2-ylpentan-1-amine (PubChem CID 106906306) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-N-propan-2-ylpentan-1-amine.

Molecular Properties

Compound NameN-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-N-propan-2-ylpentan-1-amine
PubChem CID106906306
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC NameN-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-N-propan-2-ylpentan-1-amine
SMILESCCCCCN(Cc1cccc(CNCC)n1)C(C)C
InChIInChI=1S/C17H31N3/c1-5-7-8-12-20(15(3)4)14-17-11-9-10-16(19-17)13-18-6-2/h9-11,15,18H,5-8,12-14H2,1-4H3
InChIKeyNLQBBNVBYYYMTQ-UHFFFAOYSA-N
XLogP3.59
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-N-propan-2-ylpentan-1-amine with MolForge

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Related Compounds

N-methyl-6-[[pentyl(propan-2-yl)amino]methyl]pyridin-2-amine
CID 79243378
N-ethyl-6-[[pentyl(propan-2-yl)amino]methyl]pyridin-2-amine
CID 79243292
N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-N-(2-methoxyethyl)butan-2-amine
CID 106906356
N-[[4-(ethylaminomethyl)phenyl]methyl]-N-propan-2-ylpentan-1-amine
CID 62462519
N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]ethanamine
CID 11566567
N-[[6-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-2-pyridinyl]methyl]propan-1-amine
CID 106906020
N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-N,3-dimethylbutan-2-amine
CID 106905884
N-[[6-[[propan-2-yl(prop-2-enyl)amino]methyl]-2-pyridinyl]methyl]propan-1-amine
CID 106906995
N-methyl-6-[[propan-2-yl(propyl)amino]methyl]pyridin-2-amine
CID 79242904
N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-N-methylpentan-3-amine
CID 106905876
N-[[6-[[methyl(propan-2-yl)amino]methyl]-2-pyridinyl]methyl]propan-1-amine
CID 106905577
N'-ethyl-N'-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-N,N-dimethylpropane-1,3-diamine
CID 106907275

Frequently Asked Questions

What is the IUPAC name of N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-N-propan-2-ylpentan-1-amine?
The IUPAC name of N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-N-propan-2-ylpentan-1-amine (CID 106906306) is N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-N-propan-2-ylpentan-1-amine.
What is the SMILES notation for N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-N-propan-2-ylpentan-1-amine?
The canonical SMILES for N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-N-propan-2-ylpentan-1-amine is CCCCCN(Cc1cccc(CNCC)n1)C(C)C.
What is the InChIKey of N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-N-propan-2-ylpentan-1-amine?
The InChIKey is NLQBBNVBYYYMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-5-7-8-12-20(15(3)4)14-17-11-9-10-16(19-17)13-18-6-2/h9-11,15,18H,5-8,12-14H2,1-4H3.
What are the key properties of N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-N-propan-2-ylpentan-1-amine?
N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-N-propan-2-ylpentan-1-amine has a molecular weight of 277.46 g/mol, XLogP of 3.59, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-N-propan-2-ylpentan-1-amine is sourced from PubChem (CID 106906306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).