N,N-dimethyl-3-[4-(6-pentylnaphthalen-2-yl)phenyl]propan-1-amine

C26H33N — CID 145234947

IUPACN,N-dimethyl-3-[4-(6-pentylnaphthalen-2-yl)phenyl]propan-1-amine
SMILESCCCCCc1ccc2cc(-c3ccc(CCCN(C)C)cc3)ccc2c1
InChIInChI=1S/C26H33N/c1-4-5-6-8-22-12-15-26-20-25(17-16-24(26)19-22)23-13-10-21(11-14-23)9-7-18-27(2)3/h10-17,19-20H,4-9,18H2,1-3H3
InChIKeyKKUSIPNKZUOSHV-UHFFFAOYSA-N
MW359.56 g/mol
LogP6.73
Rot. Bonds9

About N,N-dimethyl-3-[4-(6-pentylnaphthalen-2-yl)phenyl]propan-1-amine

N,N-dimethyl-3-[4-(6-pentylnaphthalen-2-yl)phenyl]propan-1-amine (PubChem CID 145234947) has the molecular formula C26H33N and a molecular weight of 359.56 g/mol. Its IUPAC name is N,N-dimethyl-3-[4-(6-pentylnaphthalen-2-yl)phenyl]propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[4-(6-pentylnaphthalen-2-yl)phenyl]propan-1-amine
PubChem CID145234947
Molecular FormulaC26H33N
Molecular Weight359.56 g/mol
Exact Mass359.26
IUPAC NameN,N-dimethyl-3-[4-(6-pentylnaphthalen-2-yl)phenyl]propan-1-amine
SMILESCCCCCc1ccc2cc(-c3ccc(CCCN(C)C)cc3)ccc2c1
InChIInChI=1S/C26H33N/c1-4-5-6-8-22-12-15-26-20-25(17-16-24(26)19-22)23-13-10-21(11-14-23)9-7-18-27(2)3/h10-17,19-20H,4-9,18H2,1-3H3
InChIKeyKKUSIPNKZUOSHV-UHFFFAOYSA-N
XLogP6.73
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.56
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-but-3-enyl-6-(4-pentylphenyl)naphthalene
CID 139860505
[4-[4-(6-hexylnaphthalen-2-yl)phenyl]phenyl]methanamine
CID 150718553
2-methyl-6-(4-octylphenyl)naphthalene
CID 59917182
4-(6-nonylnaphthalen-2-yl)benzonitrile
CID 631985
7,20-bis(4-dodecylphenyl)hexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacosa-1(14),2(11),3,5(10),6,8,12,15(24),16,18(23),19,21,25-tridecaene
CID 58411450
1-octyl-4-(4-octylphenyl)benzene
CID 22766415
3-(4-dodecylphenyl)-N,N-dimethylaniline
CID 57074168
6-decyl-2-(6-decylazulen-2-yl)azulene
CID 177425014
1-butyl-3-(4-pentylphenyl)benzene
CID 123269594
3-(4-heptoxyphenyl)-N,N-dimethylpropan-1-amine
CID 170865649
3-[4-(4-chlorophenyl)phenyl]-N,N-dimethylpropan-1-amine
CID 10757306
2-methyl-1-pentyl-4-[4-(4-pentylphenyl)phenyl]benzene
CID 173354909

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[4-(6-pentylnaphthalen-2-yl)phenyl]propan-1-amine?
The IUPAC name of N,N-dimethyl-3-[4-(6-pentylnaphthalen-2-yl)phenyl]propan-1-amine (CID 145234947) is N,N-dimethyl-3-[4-(6-pentylnaphthalen-2-yl)phenyl]propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-[4-(6-pentylnaphthalen-2-yl)phenyl]propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-[4-(6-pentylnaphthalen-2-yl)phenyl]propan-1-amine is CCCCCc1ccc2cc(-c3ccc(CCCN(C)C)cc3)ccc2c1.
What is the InChIKey of N,N-dimethyl-3-[4-(6-pentylnaphthalen-2-yl)phenyl]propan-1-amine?
The InChIKey is KKUSIPNKZUOSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N/c1-4-5-6-8-22-12-15-26-20-25(17-16-24(26)19-22)23-13-10-21(11-14-23)9-7-18-27(2)3/h10-17,19-20H,4-9,18H2,1-3H3.
What are the key properties of N,N-dimethyl-3-[4-(6-pentylnaphthalen-2-yl)phenyl]propan-1-amine?
N,N-dimethyl-3-[4-(6-pentylnaphthalen-2-yl)phenyl]propan-1-amine has a molecular weight of 359.56 g/mol, XLogP of 6.73, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[4-(6-pentylnaphthalen-2-yl)phenyl]propan-1-amine is sourced from PubChem (CID 145234947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).