N-benzyl-N-propylbutan-1-amine;ethane

C16H29N — CID 143530424

IUPACN-benzyl-N-propylbutan-1-amine;ethane
SMILESCC.CCCCN(CCC)Cc1ccccc1
InChIInChI=1S/C14H23N.C2H6/c1-3-5-12-15(11-4-2)13-14-9-7-6-8-10-14;1-2/h6-10H,3-5,11-13H2,1-2H3;1-2H3
InChIKeyUQCMNCNULHCQKV-UHFFFAOYSA-N
MW235.42 g/mol
LogP4.72
Rot. Bonds7

About N-benzyl-N-propylbutan-1-amine;ethane

N-benzyl-N-propylbutan-1-amine;ethane (PubChem CID 143530424) has the molecular formula C16H29N and a molecular weight of 235.42 g/mol. Its IUPAC name is N-benzyl-N-propylbutan-1-amine;ethane.

Molecular Properties

Compound NameN-benzyl-N-propylbutan-1-amine;ethane
PubChem CID143530424
Molecular FormulaC16H29N
Molecular Weight235.42 g/mol
Exact Mass235.23
IUPAC NameN-benzyl-N-propylbutan-1-amine;ethane
SMILESCC.CCCCN(CCC)Cc1ccccc1
InChIInChI=1S/C14H23N.C2H6/c1-3-5-12-15(11-4-2)13-14-9-7-6-8-10-14;1-2/h6-10H,3-5,11-13H2,1-2H3;1-2H3
InChIKeyUQCMNCNULHCQKV-UHFFFAOYSA-N
XLogP4.72
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.42
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-benzyl-N-propylhexan-1-amine
CID 123983090
N,N-dibenzylpropan-1-amine
CID 10840212
4-[benzyl(propyl)amino]butan-1-ol
CID 130822527
N,N-dibenzyldodecan-1-amine
CID 11508874
N-benzyl-N-butyl-3-methylbutan-1-amine
CID 21355603
N-benzyl-N-(2-bromoethyl)pentan-1-amine
CID 80679687
N,N-dibenzyl-1-phenylmethanamine;hexane
CID 174855522
N,N-dibenzylnonan-1-amine;hydrochloride
CID 173190892
N-benzyl-N-(4-bromobutyl)octadecan-1-amine
CID 173422104
N-benzyl-N-(2-phenylsulfanylethyl)butan-1-amine
CID 56610274
butane;N,N-dibutylbutan-1-amine;bis(N,N-dimethyl-1-phenylmethanamine)
CID 90732406
N'-benzyl-N'-hexadecylethane-1,2-diamine
CID 22067437

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-propylbutan-1-amine;ethane?
The IUPAC name of N-benzyl-N-propylbutan-1-amine;ethane (CID 143530424) is N-benzyl-N-propylbutan-1-amine;ethane.
What is the SMILES notation for N-benzyl-N-propylbutan-1-amine;ethane?
The canonical SMILES for N-benzyl-N-propylbutan-1-amine;ethane is CC.CCCCN(CCC)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-propylbutan-1-amine;ethane?
The InChIKey is UQCMNCNULHCQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N.C2H6/c1-3-5-12-15(11-4-2)13-14-9-7-6-8-10-14;1-2/h6-10H,3-5,11-13H2,1-2H3;1-2H3.
What are the key properties of N-benzyl-N-propylbutan-1-amine;ethane?
N-benzyl-N-propylbutan-1-amine;ethane has a molecular weight of 235.42 g/mol, XLogP of 4.72, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-propylbutan-1-amine;ethane is sourced from PubChem (CID 143530424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).