4-N-(1-phenylpropyl)-4-N-propylcyclohexane-1,4-diamine

C18H30N2 — CID 79111487

IUPAC4-N-(1-phenylpropyl)-4-N-propylcyclohexane-1,4-diamine
SMILESCCCN(C1CCC(N)CC1)C(CC)c1ccccc1
InChIInChI=1S/C18H30N2/c1-3-14-20(17-12-10-16(19)11-13-17)18(4-2)15-8-6-5-7-9-15/h5-9,16-18H,3-4,10-14,19H2,1-2H3
InChIKeyLUTLULABMQKSFE-UHFFFAOYSA-N
MW274.45 g/mol
LogP4.12
Rot. Bonds6

About 4-N-(1-phenylpropyl)-4-N-propylcyclohexane-1,4-diamine

4-N-(1-phenylpropyl)-4-N-propylcyclohexane-1,4-diamine (PubChem CID 79111487) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 4-N-(1-phenylpropyl)-4-N-propylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-(1-phenylpropyl)-4-N-propylcyclohexane-1,4-diamine
PubChem CID79111487
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name4-N-(1-phenylpropyl)-4-N-propylcyclohexane-1,4-diamine
SMILESCCCN(C1CCC(N)CC1)C(CC)c1ccccc1
InChIInChI=1S/C18H30N2/c1-3-14-20(17-12-10-16(19)11-13-17)18(4-2)15-8-6-5-7-9-15/h5-9,16-18H,3-4,10-14,19H2,1-2H3
InChIKeyLUTLULABMQKSFE-UHFFFAOYSA-N
XLogP4.12
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-N-(1-phenylpropyl)-4-N-propylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-(1-phenylpropyl)-4-N-propylcyclohexane-1,4-diamine (CID 79111487) is 4-N-(1-phenylpropyl)-4-N-propylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-(1-phenylpropyl)-4-N-propylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-(1-phenylpropyl)-4-N-propylcyclohexane-1,4-diamine is CCCN(C1CCC(N)CC1)C(CC)c1ccccc1.
What is the InChIKey of 4-N-(1-phenylpropyl)-4-N-propylcyclohexane-1,4-diamine?
The InChIKey is LUTLULABMQKSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-3-14-20(17-12-10-16(19)11-13-17)18(4-2)15-8-6-5-7-9-15/h5-9,16-18H,3-4,10-14,19H2,1-2H3.
What are the key properties of 4-N-(1-phenylpropyl)-4-N-propylcyclohexane-1,4-diamine?
4-N-(1-phenylpropyl)-4-N-propylcyclohexane-1,4-diamine has a molecular weight of 274.45 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-phenylpropyl)-4-N-propylcyclohexane-1,4-diamine is sourced from PubChem (CID 79111487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).