N-(2-cyclopropylpropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine

C16H29N — CID 115592687

IUPACN-(2-cyclopropylpropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
SMILESCC(CNC1CCC2CCCCC2C1)C1CC1
InChIInChI=1S/C16H29N/c1-12(13-6-7-13)11-17-16-9-8-14-4-2-3-5-15(14)10-16/h12-17H,2-11H2,1H3
InChIKeyWHMSHYJNQMTCAW-UHFFFAOYSA-N
MW235.41 g/mol
LogP3.98
Rot. Bonds4

About N-(2-cyclopropylpropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine

N-(2-cyclopropylpropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine (PubChem CID 115592687) has the molecular formula C16H29N and a molecular weight of 235.41 g/mol. Its IUPAC name is N-(2-cyclopropylpropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine.

Molecular Properties

Compound NameN-(2-cyclopropylpropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
PubChem CID115592687
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC NameN-(2-cyclopropylpropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
SMILESCC(CNC1CCC2CCCCC2C1)C1CC1
InChIInChI=1S/C16H29N/c1-12(13-6-7-13)11-17-16-9-8-14-4-2-3-5-15(14)10-16/h12-17H,2-11H2,1H3
InChIKeyWHMSHYJNQMTCAW-UHFFFAOYSA-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 N-(2-cyclopropylpropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine with MolForge

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Related Compounds

1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-3-methylbutan-2-ol
CID 115720450
N-(2-cyclopropylpropyl)cyclooctanamine
CID 115592679
1-[(3-cyclopropylcyclohexyl)amino]propan-2-ol
CID 64593899
(2R)-N-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 167179387
4-(2-cyclopropylpropylamino)cyclohexan-1-ol
CID 106595134
3-cyclopropyl-N-(2,2,3-trimethylbutyl)cyclohexan-1-amine
CID 114099437
5-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)pentan-2-ol
CID 107270410
N-(2-cyclopropylpropyl)thian-4-amine
CID 115592688
trans-(1R,2R)-2-(2-cyclopropylpropylamino)cyclohexan-1-ol
CID 102731666
N-(2-cyclopropylpropyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 115765456
N-(2-cyclopropylpropyl)-2-propan-2-yloxan-4-amine
CID 115914476
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-2-methylpropan-2-ol
CID 63239236

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropylpropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The IUPAC name of N-(2-cyclopropylpropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine (CID 115592687) is N-(2-cyclopropylpropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine.
What is the SMILES notation for N-(2-cyclopropylpropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The canonical SMILES for N-(2-cyclopropylpropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine is CC(CNC1CCC2CCCCC2C1)C1CC1.
What is the InChIKey of N-(2-cyclopropylpropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The InChIKey is WHMSHYJNQMTCAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N/c1-12(13-6-7-13)11-17-16-9-8-14-4-2-3-5-15(14)10-16/h12-17H,2-11H2,1H3.
What are the key properties of N-(2-cyclopropylpropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
N-(2-cyclopropylpropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-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 N-(2-cyclopropylpropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine is sourced from PubChem (CID 115592687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).