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

C16H27N3 — CID 106905994

IUPACN-[[6-[[cyclopropylmethyl(methyl)amino]methyl]-2-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCN(Cc1cccc(CNC(C)(C)C)n1)CC1CC1
InChIInChI=1S/C16H27N3/c1-16(2,3)17-10-14-6-5-7-15(18-14)12-19(4)11-13-8-9-13/h5-7,13,17H,8-12H2,1-4H3
InChIKeyFMNSKRWNWBNXLA-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.81
Rot. Bonds6

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

N-[[6-[[cyclopropylmethyl(methyl)amino]methyl]-2-pyridinyl]methyl]-2-methylpropan-2-amine (PubChem CID 106905994) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[[6-[[cyclopropylmethyl(methyl)amino]methyl]-2-pyridinyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[6-[[cyclopropylmethyl(methyl)amino]methyl]-2-pyridinyl]methyl]-2-methylpropan-2-amine
PubChem CID106905994
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC NameN-[[6-[[cyclopropylmethyl(methyl)amino]methyl]-2-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCN(Cc1cccc(CNC(C)(C)C)n1)CC1CC1
InChIInChI=1S/C16H27N3/c1-16(2,3)17-10-14-6-5-7-15(18-14)12-19(4)11-13-8-9-13/h5-7,13,17H,8-12H2,1-4H3
InChIKeyFMNSKRWNWBNXLA-UHFFFAOYSA-N
XLogP2.81
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Betahistine
CID 2366
Imisopasem Manganese
CID 10195666
Piperazine, 2-pyridylethyl-
CID 566605
(2-Aminoethyl)(pyridin-2-ylmethyl)amine
CID 12677274
Avasopasem Manganese
CID 23649345
2,6-Dimethyl-3-pyridylamine
CID 76964
Methyl(6-methyl-2-pyridylmethyl)amine
CID 81438
(6-Methylpyridin-2-yl)methanamine
CID 246721
1-[2-(2,5-dimethyl-1H-pyrrol-1-yl)ethyl]piperazine
CID 247631
(1S)-1-(pyridin-2-yl)ethan-1-amine
CID 1084917
1-(Pyridin-2-yl)cyclopropanamine
CID 11105409
N-[3-(6-methylpyridin-2-yl)prop-2-yn-1-yl]aniline
CID 11218324

Frequently Asked Questions

What is the IUPAC name of N-[[6-[[cyclopropylmethyl(methyl)amino]methyl]-2-pyridinyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[6-[[cyclopropylmethyl(methyl)amino]methyl]-2-pyridinyl]methyl]-2-methylpropan-2-amine (CID 106905994) is N-[[6-[[cyclopropylmethyl(methyl)amino]methyl]-2-pyridinyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[6-[[cyclopropylmethyl(methyl)amino]methyl]-2-pyridinyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[6-[[cyclopropylmethyl(methyl)amino]methyl]-2-pyridinyl]methyl]-2-methylpropan-2-amine is CN(Cc1cccc(CNC(C)(C)C)n1)CC1CC1.
What is the InChIKey of N-[[6-[[cyclopropylmethyl(methyl)amino]methyl]-2-pyridinyl]methyl]-2-methylpropan-2-amine?
The InChIKey is FMNSKRWNWBNXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-16(2,3)17-10-14-6-5-7-15(18-14)12-19(4)11-13-8-9-13/h5-7,13,17H,8-12H2,1-4H3.
What are the key properties of N-[[6-[[cyclopropylmethyl(methyl)amino]methyl]-2-pyridinyl]methyl]-2-methylpropan-2-amine?
N-[[6-[[cyclopropylmethyl(methyl)amino]methyl]-2-pyridinyl]methyl]-2-methylpropan-2-amine has a molecular weight of 261.41 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[[cyclopropylmethyl(methyl)amino]methyl]-2-pyridinyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 106905994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).