(1R,4S)-N-(1-cyclopropylpropan-2-yl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine

C16H29N — CID 115400818

IUPAC(1R,4S)-N-(1-cyclopropylpropan-2-yl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
SMILESCC(CC1CC1)NC1C(C)(C)[C@H]2CC[C@]1(C)C2
InChIInChI=1S/C16H29N/c1-11(9-12-5-6-12)17-14-15(2,3)13-7-8-16(14,4)10-13/h11-14,17H,5-10H2,1-4H3/t11?,13-,14?,16+/m0/s1
InChIKeyAUSHEAVASOPBSD-XABSGNMRSA-N
MW235.41 g/mol
LogP3.98
Rot. Bonds4

About (1R,4S)-N-(1-cyclopropylpropan-2-yl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine

(1R,4S)-N-(1-cyclopropylpropan-2-yl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine (PubChem CID 115400818) has the molecular formula C16H29N and a molecular weight of 235.41 g/mol. Its IUPAC name is (1R,4S)-N-(1-cyclopropylpropan-2-yl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name(1R,4S)-N-(1-cyclopropylpropan-2-yl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
PubChem CID115400818
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC Name(1R,4S)-N-(1-cyclopropylpropan-2-yl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
SMILESCC(CC1CC1)NC1C(C)(C)[C@H]2CC[C@]1(C)C2
InChIInChI=1S/C16H29N/c1-11(9-12-5-6-12)17-14-15(2,3)13-7-8-16(14,4)10-13/h11-14,17H,5-10H2,1-4H3/t11?,13-,14?,16+/m0/s1
InChIKeyAUSHEAVASOPBSD-XABSGNMRSA-N
XLogP3.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.41
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1R,4S)-N-(1-cyclopropylpropan-2-yl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine with MolForge

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Related Compounds

(1R,4S)-N-(1-methoxypropan-2-yl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
CID 115400260
3-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]butan-1-ol
CID 115400216
(1R,4S)-1,3,3-trimethyl-N-(4-phenylbutan-2-yl)bicyclo[2.2.1]heptan-2-amine
CID 115400384
(1S,2S,4S)-N,1,3,3-tetramethylbicyclo[2.2.1]heptan-2-amine
CID 98136525
(1R,2S,4S)-N,1,3,3-tetramethylbicyclo[2.2.1]heptan-2-amine
CID 14891015
(1R,4S)-1,3,3-trimethyl-N-[(4-methylcyclohexyl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 115400799
1,3,3-trimethyl-N-[(1R)-1-pyridin-4-ylethyl]bicyclo[2.2.1]heptan-2-amine
CID 81405698
(1R,4S)-1,3,3-trimethyl-N-(1-pyridin-4-ylethyl)bicyclo[2.2.1]heptan-2-amine
CID 115400352
methyl 2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]propanoate
CID 115400720
1,3,3-trimethyl-N-octan-4-ylbicyclo[2.2.1]heptan-2-amine
CID 106023685
(1R,4S)-1,3,3-trimethyl-N-prop-2-enylbicyclo[2.2.1]heptan-2-amine
CID 115400230
3-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]pentanenitrile
CID 113302737

Frequently Asked Questions

What is the IUPAC name of (1R,4S)-N-(1-cyclopropylpropan-2-yl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine?
The IUPAC name of (1R,4S)-N-(1-cyclopropylpropan-2-yl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine (CID 115400818) is (1R,4S)-N-(1-cyclopropylpropan-2-yl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for (1R,4S)-N-(1-cyclopropylpropan-2-yl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for (1R,4S)-N-(1-cyclopropylpropan-2-yl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine is CC(CC1CC1)NC1C(C)(C)[C@H]2CC[C@]1(C)C2.
What is the InChIKey of (1R,4S)-N-(1-cyclopropylpropan-2-yl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine?
The InChIKey is AUSHEAVASOPBSD-XABSGNMRSA-N. The full InChI is InChI=1S/C16H29N/c1-11(9-12-5-6-12)17-14-15(2,3)13-7-8-16(14,4)10-13/h11-14,17H,5-10H2,1-4H3/t11?,13-,14?,16+/m0/s1.
What are the key properties of (1R,4S)-N-(1-cyclopropylpropan-2-yl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine?
(1R,4S)-N-(1-cyclopropylpropan-2-yl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine has a molecular weight of 235.41 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S)-N-(1-cyclopropylpropan-2-yl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 115400818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).