6-(3,4-dimethylphenyl)-N-propan-2-ylhexan-1-amine

C17H29N — CID 65308314

IUPAC6-(3,4-dimethylphenyl)-N-propan-2-ylhexan-1-amine
SMILESCc1ccc(CCCCCCNC(C)C)cc1C
InChIInChI=1S/C17H29N/c1-14(2)18-12-8-6-5-7-9-17-11-10-15(3)16(4)13-17/h10-11,13-14,18H,5-9,12H2,1-4H3
InChIKeyMDBZEDIMQDUTJK-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.40
Rot. Bonds8

About 6-(3,4-dimethylphenyl)-N-propan-2-ylhexan-1-amine

6-(3,4-dimethylphenyl)-N-propan-2-ylhexan-1-amine (PubChem CID 65308314) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is 6-(3,4-dimethylphenyl)-N-propan-2-ylhexan-1-amine.

Molecular Properties

Compound Name6-(3,4-dimethylphenyl)-N-propan-2-ylhexan-1-amine
PubChem CID65308314
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC Name6-(3,4-dimethylphenyl)-N-propan-2-ylhexan-1-amine
SMILESCc1ccc(CCCCCCNC(C)C)cc1C
InChIInChI=1S/C17H29N/c1-14(2)18-12-8-6-5-7-9-17-11-10-15(3)16(4)13-17/h10-11,13-14,18H,5-9,12H2,1-4H3
InChIKeyMDBZEDIMQDUTJK-UHFFFAOYSA-N
XLogP4.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(4-methylphenyl)-N-propan-2-ylhexan-1-amine
CID 65308626
6-(3,4-diethylphenyl)-N-propan-2-ylhexan-1-amine
CID 115483370
N-propan-2-yl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-amine
CID 65305272
N-propan-2-yl-5-(4-propan-2-ylphenyl)pentan-1-amine
CID 65305501
4-(4-butylphenyl)-N-propan-2-ylbutan-1-amine
CID 65305422
1,2-dimethyl-4-octylbenzene
CID 14044616
1,2-dimethyl-4-(6-phenylhexyl)benzene
CID 123294821
N-[6-(3,4-dimethylphenyl)hexyl]cyclopropanamine
CID 65308417
4-(1,3-benzodioxol-5-yl)-N-propan-2-ylbutan-1-amine
CID 98014825
6-(2,4-difluoro-5-methylphenyl)-N-propan-2-ylhexan-1-amine
CID 79733100
4-(3,4-dimethylphenyl)butan-1-amine
CID 19797655
4-(10,10-dimethylundecyl)-1,2-dimethylbenzene
CID 150895968

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethylphenyl)-N-propan-2-ylhexan-1-amine?
The IUPAC name of 6-(3,4-dimethylphenyl)-N-propan-2-ylhexan-1-amine (CID 65308314) is 6-(3,4-dimethylphenyl)-N-propan-2-ylhexan-1-amine.
What is the SMILES notation for 6-(3,4-dimethylphenyl)-N-propan-2-ylhexan-1-amine?
The canonical SMILES for 6-(3,4-dimethylphenyl)-N-propan-2-ylhexan-1-amine is Cc1ccc(CCCCCCNC(C)C)cc1C.
What is the InChIKey of 6-(3,4-dimethylphenyl)-N-propan-2-ylhexan-1-amine?
The InChIKey is MDBZEDIMQDUTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-14(2)18-12-8-6-5-7-9-17-11-10-15(3)16(4)13-17/h10-11,13-14,18H,5-9,12H2,1-4H3.
What are the key properties of 6-(3,4-dimethylphenyl)-N-propan-2-ylhexan-1-amine?
6-(3,4-dimethylphenyl)-N-propan-2-ylhexan-1-amine has a molecular weight of 247.43 g/mol, XLogP of 4.40, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethylphenyl)-N-propan-2-ylhexan-1-amine is sourced from PubChem (CID 65308314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).