N-(3-methylpentyl)-1-phenylethane-1,2-diamine

C14H24N2 — CID 146442807

IUPACN-(3-methylpentyl)-1-phenylethane-1,2-diamine
SMILESCCC(C)CCNC(CN)c1ccccc1
InChIInChI=1S/C14H24N2/c1-3-12(2)9-10-16-14(11-15)13-7-5-4-6-8-13/h4-8,12,14,16H,3,9-11,15H2,1-2H3
InChIKeyDWXMEJKJPQLVKE-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.71
Rot. Bonds7

About N-(3-methylpentyl)-1-phenylethane-1,2-diamine

N-(3-methylpentyl)-1-phenylethane-1,2-diamine (PubChem CID 146442807) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is N-(3-methylpentyl)-1-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN-(3-methylpentyl)-1-phenylethane-1,2-diamine
PubChem CID146442807
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC NameN-(3-methylpentyl)-1-phenylethane-1,2-diamine
SMILESCCC(C)CCNC(CN)c1ccccc1
InChIInChI=1S/C14H24N2/c1-3-12(2)9-10-16-14(11-15)13-7-5-4-6-8-13/h4-8,12,14,16H,3,9-11,15H2,1-2H3
InChIKeyDWXMEJKJPQLVKE-UHFFFAOYSA-N
XLogP2.71
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-dodecyl-1-phenylethane-1,2-diamine
CID 146442827
N'-(1-phenylpropyl)propane-1,3-diamine
CID 60889497
N-(3,3-diphenylpropyl)-1-phenylbutan-1-amine
CID 20642754
4-[1-(3-phenylbutylamino)propyl]phenol
CID 62988194
4-(1-phenylhexylamino)butan-2-ol
CID 64910713
(1S)-1-phenyl-N-propan-2-ylpropan-1-amine
CID 14387504
3,3-bis(3-fluorophenyl)-N-(1-phenylpropyl)propan-1-amine
CID 20642678
5-methyl-N-(1-phenylbutyl)hexan-1-amine
CID 115324964
N-benzyl-1-(4-ethylphenyl)ethane-1,2-diamine
CID 60709706
3-(2-methylbutylamino)-3-phenylpropanenitrile
CID 62778386
N'-(1-phenylpropyl)-N-propylethane-1,2-diamine
CID 54810053
N-(3-methylpentan-3-yl)-1-phenylethane-1,2-diamine
CID 146442812

Frequently Asked Questions

What is the IUPAC name of N-(3-methylpentyl)-1-phenylethane-1,2-diamine?
The IUPAC name of N-(3-methylpentyl)-1-phenylethane-1,2-diamine (CID 146442807) is N-(3-methylpentyl)-1-phenylethane-1,2-diamine.
What is the SMILES notation for N-(3-methylpentyl)-1-phenylethane-1,2-diamine?
The canonical SMILES for N-(3-methylpentyl)-1-phenylethane-1,2-diamine is CCC(C)CCNC(CN)c1ccccc1.
What is the InChIKey of N-(3-methylpentyl)-1-phenylethane-1,2-diamine?
The InChIKey is DWXMEJKJPQLVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-3-12(2)9-10-16-14(11-15)13-7-5-4-6-8-13/h4-8,12,14,16H,3,9-11,15H2,1-2H3.
What are the key properties of N-(3-methylpentyl)-1-phenylethane-1,2-diamine?
N-(3-methylpentyl)-1-phenylethane-1,2-diamine has a molecular weight of 220.36 g/mol, XLogP of 2.71, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylpentyl)-1-phenylethane-1,2-diamine is sourced from PubChem (CID 146442807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).