N-[(1R)-3-(aminomethyl)-7-methyl-1-bicyclo[3.3.1]nonanyl]propanamide

C14H26N2O — CID 70936326

IUPACN-[(1R)-3-(aminomethyl)-7-methyl-1-bicyclo[3.3.1]nonanyl]propanamide
SMILESCCC(=O)N[C@@]12CC(C)CC(CC(CN)C1)C2
InChIInChI=1S/C14H26N2O/c1-3-13(17)16-14-6-10(2)4-11(7-14)5-12(8-14)9-15/h10-12H,3-9,15H2,1-2H3,(H,16,17)/t10?,11?,12?,14-/m1/s1
InChIKeyGLLIEMSFUUIUGU-GSPOMADGSA-N
MW238.37 g/mol
LogP2.06
Rot. Bonds3

About N-[(1R)-3-(aminomethyl)-7-methyl-1-bicyclo[3.3.1]nonanyl]propanamide

N-[(1R)-3-(aminomethyl)-7-methyl-1-bicyclo[3.3.1]nonanyl]propanamide (PubChem CID 70936326) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is N-[(1R)-3-(aminomethyl)-7-methyl-1-bicyclo[3.3.1]nonanyl]propanamide.

Molecular Properties

Compound NameN-[(1R)-3-(aminomethyl)-7-methyl-1-bicyclo[3.3.1]nonanyl]propanamide
PubChem CID70936326
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC NameN-[(1R)-3-(aminomethyl)-7-methyl-1-bicyclo[3.3.1]nonanyl]propanamide
SMILESCCC(=O)N[C@@]12CC(C)CC(CC(CN)C1)C2
InChIInChI=1S/C14H26N2O/c1-3-13(17)16-14-6-10(2)4-11(7-14)5-12(8-14)9-15/h10-12H,3-9,15H2,1-2H3,(H,16,17)/t10?,11?,12?,14-/m1/s1
InChIKeyGLLIEMSFUUIUGU-GSPOMADGSA-N
XLogP2.06
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-acetylpiperidin-4-yl)-3-(3-ethyl-7-methyl-1-bicyclo[3.3.1]nonanyl)urea
CID 145315254
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CID 62807277
N-(1-adamantyl)hexanamide
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N-(1-adamantyl)-1-(aminomethyl)-3-methylcyclobutane-1-carboxamide
CID 80587740
N'-(1-adamantyl)-N-methylheptanediamide
CID 90206132
N-(1-adamantyl)nonanamide
CID 4685611
N-(1-adamantyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide
CID 8930212
1-(1-adamantyl)-3-[(2R)-1-hydroxybutan-2-yl]urea
CID 73348824
N-(1-adamantyl)-2-(4-methylpiperidin-1-ium-1-yl)acetamide
CID 8543808
N,2-bis(1-adamantyl)acetamide
CID 3906383
N-(1-adamantyl)-2-amino-2-ethylbutanamide
CID 79810373
butyl 12-[(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)carbamoylamino]dodecanoate
CID 130219449

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-3-(aminomethyl)-7-methyl-1-bicyclo[3.3.1]nonanyl]propanamide?
The IUPAC name of N-[(1R)-3-(aminomethyl)-7-methyl-1-bicyclo[3.3.1]nonanyl]propanamide (CID 70936326) is N-[(1R)-3-(aminomethyl)-7-methyl-1-bicyclo[3.3.1]nonanyl]propanamide.
What is the SMILES notation for N-[(1R)-3-(aminomethyl)-7-methyl-1-bicyclo[3.3.1]nonanyl]propanamide?
The canonical SMILES for N-[(1R)-3-(aminomethyl)-7-methyl-1-bicyclo[3.3.1]nonanyl]propanamide is CCC(=O)N[C@@]12CC(C)CC(CC(CN)C1)C2.
What is the InChIKey of N-[(1R)-3-(aminomethyl)-7-methyl-1-bicyclo[3.3.1]nonanyl]propanamide?
The InChIKey is GLLIEMSFUUIUGU-GSPOMADGSA-N. The full InChI is InChI=1S/C14H26N2O/c1-3-13(17)16-14-6-10(2)4-11(7-14)5-12(8-14)9-15/h10-12H,3-9,15H2,1-2H3,(H,16,17)/t10?,11?,12?,14-/m1/s1.
What are the key properties of N-[(1R)-3-(aminomethyl)-7-methyl-1-bicyclo[3.3.1]nonanyl]propanamide?
N-[(1R)-3-(aminomethyl)-7-methyl-1-bicyclo[3.3.1]nonanyl]propanamide has a molecular weight of 238.37 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-3-(aminomethyl)-7-methyl-1-bicyclo[3.3.1]nonanyl]propanamide is sourced from PubChem (CID 70936326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).