4-(4-propylphenyl)heptan-1-amine

C16H27N — CID 83921500

IUPAC4-(4-propylphenyl)heptan-1-amine
SMILESCCCc1ccc(C(CCC)CCCN)cc1
InChIInChI=1S/C16H27N/c1-3-6-14-9-11-16(12-10-14)15(7-4-2)8-5-13-17/h9-12,15H,3-8,13,17H2,1-2H3
InChIKeyMVSSMMPYWYZGJC-UHFFFAOYSA-N
MW233.40 g/mol
LogP4.26
Rot. Bonds8

About 4-(4-propylphenyl)heptan-1-amine

4-(4-propylphenyl)heptan-1-amine (PubChem CID 83921500) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 4-(4-propylphenyl)heptan-1-amine.

Molecular Properties

Compound Name4-(4-propylphenyl)heptan-1-amine
PubChem CID83921500
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name4-(4-propylphenyl)heptan-1-amine
SMILESCCCc1ccc(C(CCC)CCCN)cc1
InChIInChI=1S/C16H27N/c1-3-6-14-9-11-16(12-10-14)15(7-4-2)8-5-13-17/h9-12,15H,3-8,13,17H2,1-2H3
InChIKeyMVSSMMPYWYZGJC-UHFFFAOYSA-N
XLogP4.26
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(4-chlorophenyl)heptan-1-amine
CID 83931131
4-[4-(4-hydroxyphenyl)heptyl]phenol
CID 54154884
4-(4-methylsulfonylphenyl)heptan-1-amine
CID 83926289
4-(3,4-dimethylphenyl)heptan-1-amine
CID 83927883
4-methyl-3-(4-propylphenyl)pentan-1-amine
CID 112507881
4-(4-hexoxyphenyl)heptan-1-amine
CID 83932661
4-(4-butylphenyl)pentan-1-amine
CID 82286120
1-ethyl-4-undecan-4-ylbenzene
CID 14568440
(4-dodecan-6-ylphenyl)methanamine
CID 130348260
6-(4-propylphenyl)hexan-1-amine
CID 65300510
4-(3,4-diethoxyphenyl)heptan-1-amine
CID 83923533
4-(4-methylphenyl)hexan-1-amine
CID 83930823

Frequently Asked Questions

What is the IUPAC name of 4-(4-propylphenyl)heptan-1-amine?
The IUPAC name of 4-(4-propylphenyl)heptan-1-amine (CID 83921500) is 4-(4-propylphenyl)heptan-1-amine.
What is the SMILES notation for 4-(4-propylphenyl)heptan-1-amine?
The canonical SMILES for 4-(4-propylphenyl)heptan-1-amine is CCCc1ccc(C(CCC)CCCN)cc1.
What is the InChIKey of 4-(4-propylphenyl)heptan-1-amine?
The InChIKey is MVSSMMPYWYZGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-3-6-14-9-11-16(12-10-14)15(7-4-2)8-5-13-17/h9-12,15H,3-8,13,17H2,1-2H3.
What are the key properties of 4-(4-propylphenyl)heptan-1-amine?
4-(4-propylphenyl)heptan-1-amine has a molecular weight of 233.40 g/mol, XLogP of 4.26, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propylphenyl)heptan-1-amine is sourced from PubChem (CID 83921500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).