7-cyclohexyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine

C19H29N — CID 63512491

IUPAC7-cyclohexyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCCNC1CCCc2ccc(C3CCCCC3)cc21
InChIInChI=1S/C19H29N/c1-2-13-20-19-10-6-9-16-11-12-17(14-18(16)19)15-7-4-3-5-8-15/h11-12,14-15,19-20H,2-10,13H2,1H3
InChIKeyMWTMQFCQCCAZAK-UHFFFAOYSA-N
MW271.45 g/mol
LogP5.11
Rot. Bonds4

About 7-cyclohexyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine

7-cyclohexyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 63512491) has the molecular formula C19H29N and a molecular weight of 271.45 g/mol. Its IUPAC name is 7-cyclohexyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name7-cyclohexyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID63512491
Molecular FormulaC19H29N
Molecular Weight271.45 g/mol
Exact Mass271.23
IUPAC Name7-cyclohexyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCCNC1CCCc2ccc(C3CCCCC3)cc21
InChIInChI=1S/C19H29N/c1-2-13-20-19-10-6-9-16-11-12-17(14-18(16)19)15-7-4-3-5-8-15/h11-12,14-15,19-20H,2-10,13H2,1H3
InChIKeyMWTMQFCQCCAZAK-UHFFFAOYSA-N
XLogP5.11
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 ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-cyclohexyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 7-cyclohexyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 63512491) is 7-cyclohexyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 7-cyclohexyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 7-cyclohexyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine is CCCNC1CCCc2ccc(C3CCCCC3)cc21.
What is the InChIKey of 7-cyclohexyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is MWTMQFCQCCAZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N/c1-2-13-20-19-10-6-9-16-11-12-17(14-18(16)19)15-7-4-3-5-8-15/h11-12,14-15,19-20H,2-10,13H2,1H3.
What are the key properties of 7-cyclohexyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine?
7-cyclohexyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 271.45 g/mol, XLogP of 5.11, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclohexyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 63512491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).