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

C19H29N — CID 43769074

IUPACN-(4-propylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
SMILESCCCc1ccc(NC2CCC3CCCCC3C2)cc1
InChIInChI=1S/C19H29N/c1-2-5-15-8-11-18(12-9-15)20-19-13-10-16-6-3-4-7-17(16)14-19/h8-9,11-12,16-17,19-20H,2-7,10,13-14H2,1H3
InChIKeyDLUMPWWQHBAZLG-UHFFFAOYSA-N
MW271.45 g/mol
LogP5.41
Rot. Bonds4

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

N-(4-propylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine (PubChem CID 43769074) has the molecular formula C19H29N and a molecular weight of 271.45 g/mol. Its IUPAC name is N-(4-propylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine.

Molecular Properties

Compound NameN-(4-propylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
PubChem CID43769074
Molecular FormulaC19H29N
Molecular Weight271.45 g/mol
Exact Mass271.23
IUPAC NameN-(4-propylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
SMILESCCCc1ccc(NC2CCC3CCCCC3C2)cc1
InChIInChI=1S/C19H29N/c1-2-5-15-8-11-18(12-9-15)20-19-13-10-16-6-3-4-7-17(16)14-19/h8-9,11-12,16-17,19-20H,2-7,10,13-14H2,1H3
InChIKeyDLUMPWWQHBAZLG-UHFFFAOYSA-N
XLogP5.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.45
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(4-propylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The IUPAC name of N-(4-propylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine (CID 43769074) is N-(4-propylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine.
What is the SMILES notation for N-(4-propylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The canonical SMILES for N-(4-propylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine is CCCc1ccc(NC2CCC3CCCCC3C2)cc1.
What is the InChIKey of N-(4-propylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The InChIKey is DLUMPWWQHBAZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N/c1-2-5-15-8-11-18(12-9-15)20-19-13-10-16-6-3-4-7-17(16)14-19/h8-9,11-12,16-17,19-20H,2-7,10,13-14H2,1H3.
What are the key properties of N-(4-propylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
N-(4-propylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine has a molecular weight of 271.45 g/mol, XLogP of 5.41, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine is sourced from PubChem (CID 43769074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).