N-benzyl-N-methyl-N',N'-dipropylbutane-1,4-diamine

C18H32N2 — CID 141125975

IUPACN-benzyl-N-methyl-N',N'-dipropylbutane-1,4-diamine
SMILESCCCN(CCC)CCCCN(C)Cc1ccccc1
InChIInChI=1S/C18H32N2/c1-4-13-20(14-5-2)16-10-9-15-19(3)17-18-11-7-6-8-12-18/h6-8,11-12H,4-5,9-10,13-17H2,1-3H3
InChIKeyNFECBPYXUJNVCR-UHFFFAOYSA-N
MW276.47 g/mol
LogP4.02
Rot. Bonds11

About N-benzyl-N-methyl-N',N'-dipropylbutane-1,4-diamine

N-benzyl-N-methyl-N',N'-dipropylbutane-1,4-diamine (PubChem CID 141125975) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is N-benzyl-N-methyl-N',N'-dipropylbutane-1,4-diamine.

Molecular Properties

Compound NameN-benzyl-N-methyl-N',N'-dipropylbutane-1,4-diamine
PubChem CID141125975
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC NameN-benzyl-N-methyl-N',N'-dipropylbutane-1,4-diamine
SMILESCCCN(CCC)CCCCN(C)Cc1ccccc1
InChIInChI=1S/C18H32N2/c1-4-13-20(14-5-2)16-10-9-15-19(3)17-18-11-7-6-8-12-18/h6-8,11-12H,4-5,9-10,13-17H2,1-3H3
InChIKeyNFECBPYXUJNVCR-UHFFFAOYSA-N
XLogP4.02
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 58570196
N-benzyl-N-propylhexan-1-amine
CID 123983090
N-benzyl-3-bromo-N-methylpropan-1-amine
CID 61288943
N-benzyl-N-propylbutan-1-amine;ethane
CID 143530424
N,N-dibenzylpropan-1-amine
CID 10840212
4-[benzyl(propyl)amino]butan-1-ol
CID 130822527
butane;N,N-dibutylbutan-1-amine;bis(N,N-dimethyl-1-phenylmethanamine)
CID 90732406
9-[benzyl(methyl)amino]nonane-1-thiol
CID 105344021
15-phenyl-N,N-dipropylpentadecan-1-amine;hydrate
CID 173447970
7-[benzyl(methyl)amino]heptanenitrile
CID 10680989
N,N-dibenzyldodecan-1-amine
CID 11508874
5-[benzyl(methyl)amino]pentanoic acid
CID 28972352

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-N',N'-dipropylbutane-1,4-diamine?
The IUPAC name of N-benzyl-N-methyl-N',N'-dipropylbutane-1,4-diamine (CID 141125975) is N-benzyl-N-methyl-N',N'-dipropylbutane-1,4-diamine.
What is the SMILES notation for N-benzyl-N-methyl-N',N'-dipropylbutane-1,4-diamine?
The canonical SMILES for N-benzyl-N-methyl-N',N'-dipropylbutane-1,4-diamine is CCCN(CCC)CCCCN(C)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-methyl-N',N'-dipropylbutane-1,4-diamine?
The InChIKey is NFECBPYXUJNVCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-4-13-20(14-5-2)16-10-9-15-19(3)17-18-11-7-6-8-12-18/h6-8,11-12H,4-5,9-10,13-17H2,1-3H3.
What are the key properties of N-benzyl-N-methyl-N',N'-dipropylbutane-1,4-diamine?
N-benzyl-N-methyl-N',N'-dipropylbutane-1,4-diamine has a molecular weight of 276.47 g/mol, XLogP of 4.02, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-N',N'-dipropylbutane-1,4-diamine is sourced from PubChem (CID 141125975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).