N-[(1S)-1-pyridin-2-ylethyl]cyclododecanamine

C19H32N2 — CID 29052683

IUPACN-[(1S)-1-pyridin-2-ylethyl]cyclododecanamine
SMILESC[C@H](NC1CCCCCCCCCCC1)c1ccccn1
InChIInChI=1S/C19H32N2/c1-17(19-15-11-12-16-20-19)21-18-13-9-7-5-3-2-4-6-8-10-14-18/h11-12,15-18,21H,2-10,13-14H2,1H3/t17-/m0/s1
InChIKeyJGOBAKADCUNQIB-KRWDZBQOSA-N
MW288.48 g/mol
LogP5.41
Rot. Bonds3

About N-[(1S)-1-pyridin-2-ylethyl]cyclododecanamine

N-[(1S)-1-pyridin-2-ylethyl]cyclododecanamine (PubChem CID 29052683) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is N-[(1S)-1-pyridin-2-ylethyl]cyclododecanamine.

Molecular Properties

Compound NameN-[(1S)-1-pyridin-2-ylethyl]cyclododecanamine
PubChem CID29052683
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC NameN-[(1S)-1-pyridin-2-ylethyl]cyclododecanamine
SMILESC[C@H](NC1CCCCCCCCCCC1)c1ccccn1
InChIInChI=1S/C19H32N2/c1-17(19-15-11-12-16-20-19)21-18-13-9-7-5-3-2-4-6-8-10-14-18/h11-12,15-18,21H,2-10,13-14H2,1H3/t17-/m0/s1
InChIKeyJGOBAKADCUNQIB-KRWDZBQOSA-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-2-ylethyl]cycloheptanamine
CID 28647798
N-(1-pyridin-2-ylethyl)cyclooctanamine
CID 43178142
N-[(1S)-1-pyridin-2-ylethyl]piperidin-4-amine
CID 81401330
N-[(1R)-1-pyridin-2-ylethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 81401806
3-methyl-N-[(1S)-1-pyridin-2-ylethyl]cyclohexan-1-amine
CID 81402334
1,1-dioxo-N-(1-pyridin-2-ylethyl)thian-4-amine
CID 43511597
(3S)-N-(1-pyridin-2-ylethyl)piperidin-3-amine
CID 71637655
trans-(1S,2S)-2-[[(1R)-1-pyridin-2-ylethyl]amino]cyclohexan-1-ol
CID 102731505
1-phenyl-N-[(1R)-1-pyridin-2-ylethyl]piperidin-4-amine
CID 106820380
(3R)-N-(1-pyridin-2-ylethyl)piperidin-3-amine;hydrochloride
CID 71637625
1-[4-(1-pyridin-2-ylethylamino)piperidin-1-yl]ethanone
CID 43223671
3,5-dimethyl-N-(1-pyridin-2-ylethyl)cyclohexan-1-amine
CID 64723808

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-pyridin-2-ylethyl]cyclododecanamine?
The IUPAC name of N-[(1S)-1-pyridin-2-ylethyl]cyclododecanamine (CID 29052683) is N-[(1S)-1-pyridin-2-ylethyl]cyclododecanamine.
What is the SMILES notation for N-[(1S)-1-pyridin-2-ylethyl]cyclododecanamine?
The canonical SMILES for N-[(1S)-1-pyridin-2-ylethyl]cyclododecanamine is C[C@H](NC1CCCCCCCCCCC1)c1ccccn1.
What is the InChIKey of N-[(1S)-1-pyridin-2-ylethyl]cyclododecanamine?
The InChIKey is JGOBAKADCUNQIB-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H32N2/c1-17(19-15-11-12-16-20-19)21-18-13-9-7-5-3-2-4-6-8-10-14-18/h11-12,15-18,21H,2-10,13-14H2,1H3/t17-/m0/s1.
What are the key properties of N-[(1S)-1-pyridin-2-ylethyl]cyclododecanamine?
N-[(1S)-1-pyridin-2-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-[(1S)-1-pyridin-2-ylethyl]cyclododecanamine is sourced from PubChem (CID 29052683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).