3-propan-2-yl-N-[(1R)-1-pyridin-3-ylethyl]-3-azabicyclo[3.3.1]nonan-9-amine

C18H29N3 — CID 81393237

IUPAC3-propan-2-yl-N-[(1R)-1-pyridin-3-ylethyl]-3-azabicyclo[3.3.1]nonan-9-amine
SMILESCC(C)N1CC2CCCC(C1)C2N[C@H](C)c1cccnc1
InChIInChI=1S/C18H29N3/c1-13(2)21-11-16-6-4-7-17(12-21)18(16)20-14(3)15-8-5-9-19-10-15/h5,8-10,13-14,16-18,20H,4,6-7,11-12H2,1-3H3/t14-,16?,17?,18?/m1/s1
InChIKeyUFFLOCPIZQFFCG-UWIAJVCOSA-N
MW287.45 g/mol
LogP3.24
Rot. Bonds4

About 3-propan-2-yl-N-[(1R)-1-pyridin-3-ylethyl]-3-azabicyclo[3.3.1]nonan-9-amine

3-propan-2-yl-N-[(1R)-1-pyridin-3-ylethyl]-3-azabicyclo[3.3.1]nonan-9-amine (PubChem CID 81393237) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is 3-propan-2-yl-N-[(1R)-1-pyridin-3-ylethyl]-3-azabicyclo[3.3.1]nonan-9-amine.

Molecular Properties

Compound Name3-propan-2-yl-N-[(1R)-1-pyridin-3-ylethyl]-3-azabicyclo[3.3.1]nonan-9-amine
PubChem CID81393237
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Name3-propan-2-yl-N-[(1R)-1-pyridin-3-ylethyl]-3-azabicyclo[3.3.1]nonan-9-amine
SMILESCC(C)N1CC2CCCC(C1)C2N[C@H](C)c1cccnc1
InChIInChI=1S/C18H29N3/c1-13(2)21-11-16-6-4-7-17(12-21)18(16)20-14(3)15-8-5-9-19-10-15/h5,8-10,13-14,16-18,20H,4,6-7,11-12H2,1-3H3/t14-,16?,17?,18?/m1/s1
InChIKeyUFFLOCPIZQFFCG-UWIAJVCOSA-N
XLogP3.24
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-propan-2-yl-N-[(1R)-1-pyridin-3-ylethyl]-3-azabicyclo[3.3.1]nonan-9-amine with MolForge

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Related Compounds

N-[(1S)-1-phenylethyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
CID 81350353
1-propan-2-yl-N-[(1S)-1-pyridin-3-ylethyl]piperidin-4-amine
CID 28716728
N-[(1S)-1-pyridin-3-ylethyl]cyclopropanamine
CID 26385082
N-(1-pyridin-3-ylethyl)cyclododecanamine
CID 43079395
N-[(1S)-1-pyridin-3-ylethyl]cycloheptanamine
CID 28646604
N-[(1R)-1-pyridin-3-ylethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 81407407
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1-pyridin-3-ylethanamine
CID 61208112
trans-(1S,2S)-2-(1-pyridin-3-ylethylamino)cyclopentan-1-ol
CID 102733105
4-ethyl-N-[(1S)-1-pyridin-3-ylethyl]cycloheptan-1-amine
CID 81407640
2-ethyl-N-[(1R)-1-pyridin-3-ylethyl]cyclopentan-1-amine
CID 104865522
N-[(1R)-1-pyridin-3-ylethyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105364766
2-imidazol-1-yl-N-(1-pyridin-3-ylethyl)cyclopentan-1-amine
CID 43734409

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-N-[(1R)-1-pyridin-3-ylethyl]-3-azabicyclo[3.3.1]nonan-9-amine?
The IUPAC name of 3-propan-2-yl-N-[(1R)-1-pyridin-3-ylethyl]-3-azabicyclo[3.3.1]nonan-9-amine (CID 81393237) is 3-propan-2-yl-N-[(1R)-1-pyridin-3-ylethyl]-3-azabicyclo[3.3.1]nonan-9-amine.
What is the SMILES notation for 3-propan-2-yl-N-[(1R)-1-pyridin-3-ylethyl]-3-azabicyclo[3.3.1]nonan-9-amine?
The canonical SMILES for 3-propan-2-yl-N-[(1R)-1-pyridin-3-ylethyl]-3-azabicyclo[3.3.1]nonan-9-amine is CC(C)N1CC2CCCC(C1)C2N[C@H](C)c1cccnc1.
What is the InChIKey of 3-propan-2-yl-N-[(1R)-1-pyridin-3-ylethyl]-3-azabicyclo[3.3.1]nonan-9-amine?
The InChIKey is UFFLOCPIZQFFCG-UWIAJVCOSA-N. The full InChI is InChI=1S/C18H29N3/c1-13(2)21-11-16-6-4-7-17(12-21)18(16)20-14(3)15-8-5-9-19-10-15/h5,8-10,13-14,16-18,20H,4,6-7,11-12H2,1-3H3/t14-,16?,17?,18?/m1/s1.
What are the key properties of 3-propan-2-yl-N-[(1R)-1-pyridin-3-ylethyl]-3-azabicyclo[3.3.1]nonan-9-amine?
3-propan-2-yl-N-[(1R)-1-pyridin-3-ylethyl]-3-azabicyclo[3.3.1]nonan-9-amine has a molecular weight of 287.45 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-N-[(1R)-1-pyridin-3-ylethyl]-3-azabicyclo[3.3.1]nonan-9-amine is sourced from PubChem (CID 81393237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).