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

C19H29N — CID 43768982

IUPACN-(3-propan-2-ylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
SMILESCC(C)c1cccc(NC2CCC3CCCCC3C2)c1
InChIInChI=1S/C19H29N/c1-14(2)16-8-5-9-18(12-16)20-19-11-10-15-6-3-4-7-17(15)13-19/h5,8-9,12,14-15,17,19-20H,3-4,6-7,10-11,13H2,1-2H3
InChIKeyMMTFCXPJDQUUBV-UHFFFAOYSA-N
MW271.45 g/mol
LogP5.58
Rot. Bonds3

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

N-(3-propan-2-ylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine (PubChem CID 43768982) has the molecular formula C19H29N and a molecular weight of 271.45 g/mol. Its IUPAC name is N-(3-propan-2-ylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine.

Molecular Properties

Compound NameN-(3-propan-2-ylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
PubChem CID43768982
Molecular FormulaC19H29N
Molecular Weight271.45 g/mol
Exact Mass271.23
IUPAC NameN-(3-propan-2-ylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
SMILESCC(C)c1cccc(NC2CCC3CCCCC3C2)c1
InChIInChI=1S/C19H29N/c1-14(2)16-8-5-9-18(12-16)20-19-11-10-15-6-3-4-7-17(15)13-19/h5,8-9,12,14-15,17,19-20H,3-4,6-7,10-11,13H2,1-2H3
InChIKeyMMTFCXPJDQUUBV-UHFFFAOYSA-N
XLogP5.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.45
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3-propan-2-ylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The IUPAC name of N-(3-propan-2-ylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine (CID 43768982) is N-(3-propan-2-ylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine.
What is the SMILES notation for N-(3-propan-2-ylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The canonical SMILES for N-(3-propan-2-ylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine is CC(C)c1cccc(NC2CCC3CCCCC3C2)c1.
What is the InChIKey of N-(3-propan-2-ylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The InChIKey is MMTFCXPJDQUUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N/c1-14(2)16-8-5-9-18(12-16)20-19-11-10-15-6-3-4-7-17(15)13-19/h5,8-9,12,14-15,17,19-20H,3-4,6-7,10-11,13H2,1-2H3.
What are the key properties of N-(3-propan-2-ylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
N-(3-propan-2-ylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine has a molecular weight of 271.45 g/mol, XLogP of 5.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-propan-2-ylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine is sourced from PubChem (CID 43768982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).