N-(1-pyridin-3-ylethyl)cyclododecanamine

C19H32N2 — CID 43079395

IUPACN-(1-pyridin-3-ylethyl)cyclododecanamine
SMILESCC(NC1CCCCCCCCCCC1)c1cccnc1
InChIInChI=1S/C19H32N2/c1-17(18-12-11-15-20-16-18)21-19-13-9-7-5-3-2-4-6-8-10-14-19/h11-12,15-17,19,21H,2-10,13-14H2,1H3
InChIKeyTZHRBCFVZZIFHH-UHFFFAOYSA-N
MW288.48 g/mol
LogP5.41
Rot. Bonds3

About N-(1-pyridin-3-ylethyl)cyclododecanamine

N-(1-pyridin-3-ylethyl)cyclododecanamine (PubChem CID 43079395) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is N-(1-pyridin-3-ylethyl)cyclododecanamine.

Molecular Properties

Compound NameN-(1-pyridin-3-ylethyl)cyclododecanamine
PubChem CID43079395
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC NameN-(1-pyridin-3-ylethyl)cyclododecanamine
SMILESCC(NC1CCCCCCCCCCC1)c1cccnc1
InChIInChI=1S/C19H32N2/c1-17(18-12-11-15-20-16-18)21-19-13-9-7-5-3-2-4-6-8-10-14-19/h11-12,15-17,19,21H,2-10,13-14H2,1H3
InChIKeyTZHRBCFVZZIFHH-UHFFFAOYSA-N
XLogP5.41
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.48
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-pyridin-3-ylethyl]cycloheptanamine
CID 28646604
N-[(1S)-1-pyridin-3-ylethyl]cyclopropanamine
CID 26385082
N-[(1R)-1-pyridin-3-ylethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 81407407
4-ethyl-N-[(1S)-1-pyridin-3-ylethyl]cycloheptan-1-amine
CID 81407640
N-(1-pyridin-3-ylethyl)spiro[4.5]decan-8-amine
CID 114817153
N-[(1S)-1-pyridin-3-ylethyl]azetidin-3-amine
CID 81406806
4-propyl-N-(1-pyridin-3-ylethyl)cycloheptan-1-amine
CID 65087116
1-propan-2-yl-N-[(1S)-1-pyridin-3-ylethyl]piperidin-4-amine
CID 28716728
1,1-dioxo-N-[(1R)-1-pyridin-3-ylethyl]thian-4-amine
CID 81404409
2-[[(1S)-1-pyridin-3-ylethyl]amino]cyclohexan-1-ol
CID 81404938
1,1-dioxo-N-[(1S)-1-pyridin-3-ylethyl]thian-4-amine
CID 81406804
3-N-[(1S)-1-pyridin-3-ylethyl]cyclopentane-1,3-diamine
CID 81406551

Frequently Asked Questions

What is the IUPAC name of N-(1-pyridin-3-ylethyl)cyclododecanamine?
The IUPAC name of N-(1-pyridin-3-ylethyl)cyclododecanamine (CID 43079395) is N-(1-pyridin-3-ylethyl)cyclododecanamine.
What is the SMILES notation for N-(1-pyridin-3-ylethyl)cyclododecanamine?
The canonical SMILES for N-(1-pyridin-3-ylethyl)cyclododecanamine is CC(NC1CCCCCCCCCCC1)c1cccnc1.
What is the InChIKey of N-(1-pyridin-3-ylethyl)cyclododecanamine?
The InChIKey is TZHRBCFVZZIFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-17(18-12-11-15-20-16-18)21-19-13-9-7-5-3-2-4-6-8-10-14-19/h11-12,15-17,19,21H,2-10,13-14H2,1H3.
What are the key properties of N-(1-pyridin-3-ylethyl)cyclododecanamine?
N-(1-pyridin-3-ylethyl)cyclododecanamine has a molecular weight of 288.48 g/mol, XLogP of 5.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyridin-3-ylethyl)cyclododecanamine is sourced from PubChem (CID 43079395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).