N-cyclopropyl-N'-(2,4-dimethylphenyl)-N'-methylpentane-1,5-diamine

C17H28N2 — CID 62434960

IUPACN-cyclopropyl-N'-(2,4-dimethylphenyl)-N'-methylpentane-1,5-diamine
SMILESCc1ccc(N(C)CCCCCNC2CC2)c(C)c1
InChIInChI=1S/C17H28N2/c1-14-7-10-17(15(2)13-14)19(3)12-6-4-5-11-18-16-8-9-16/h7,10,13,16,18H,4-6,8-9,11-12H2,1-3H3
InChIKeyKTYQDPWBPWAUGV-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.66
Rot. Bonds8

About N-cyclopropyl-N'-(2,4-dimethylphenyl)-N'-methylpentane-1,5-diamine

N-cyclopropyl-N'-(2,4-dimethylphenyl)-N'-methylpentane-1,5-diamine (PubChem CID 62434960) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-cyclopropyl-N'-(2,4-dimethylphenyl)-N'-methylpentane-1,5-diamine.

Molecular Properties

Compound NameN-cyclopropyl-N'-(2,4-dimethylphenyl)-N'-methylpentane-1,5-diamine
PubChem CID62434960
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-cyclopropyl-N'-(2,4-dimethylphenyl)-N'-methylpentane-1,5-diamine
SMILESCc1ccc(N(C)CCCCCNC2CC2)c(C)c1
InChIInChI=1S/C17H28N2/c1-14-7-10-17(15(2)13-14)19(3)12-6-4-5-11-18-16-8-9-16/h7,10,13,16,18H,4-6,8-9,11-12H2,1-3H3
InChIKeyKTYQDPWBPWAUGV-UHFFFAOYSA-N
XLogP3.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopentyl-N'-(2,4-dimethylphenyl)-N'-methylpropane-1,3-diamine
CID 62563445
N-cyclopropyl-N'-methyl-N'-(4-methylphenyl)butane-1,4-diamine
CID 62429801
N-cyclopropyl-N'-methyl-N'-(3-methylphenyl)pentane-1,5-diamine
CID 55072163
N-butyl-4-[(cyclopropylamino)methyl]-N,2-dimethylaniline
CID 62120655
N-cyclopropyl-N'-methyl-N'-(2,3,4-trimethylphenyl)ethane-1,2-diamine
CID 115206920
2-(cyclopropylamino)-4-(N,2,4-trimethylanilino)butan-1-ol
CID 64789779
N-[4-(2,5-dimethylphenoxy)butyl]cyclopropanamine
CID 62454096
1-[4-(cyclopropylamino)butyl]-4-methylpyridin-2-one
CID 62988187
N,2,4-trimethyl-N-pent-4-ynylaniline
CID 115872858
N-cyclohexyl-N'-methyl-N'-(4-methylphenyl)propane-1,3-diamine
CID 55087484
N-cyclopentyl-N'-(3,5-dimethylphenyl)-N'-methylpropane-1,3-diamine
CID 55087778
N,2,4-trimethyl-N-[2-[2-(methylamino)cyclopentyl]ethyl]aniline
CID 79565020

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N'-(2,4-dimethylphenyl)-N'-methylpentane-1,5-diamine?
The IUPAC name of N-cyclopropyl-N'-(2,4-dimethylphenyl)-N'-methylpentane-1,5-diamine (CID 62434960) is N-cyclopropyl-N'-(2,4-dimethylphenyl)-N'-methylpentane-1,5-diamine.
What is the SMILES notation for N-cyclopropyl-N'-(2,4-dimethylphenyl)-N'-methylpentane-1,5-diamine?
The canonical SMILES for N-cyclopropyl-N'-(2,4-dimethylphenyl)-N'-methylpentane-1,5-diamine is Cc1ccc(N(C)CCCCCNC2CC2)c(C)c1.
What is the InChIKey of N-cyclopropyl-N'-(2,4-dimethylphenyl)-N'-methylpentane-1,5-diamine?
The InChIKey is KTYQDPWBPWAUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-14-7-10-17(15(2)13-14)19(3)12-6-4-5-11-18-16-8-9-16/h7,10,13,16,18H,4-6,8-9,11-12H2,1-3H3.
What are the key properties of N-cyclopropyl-N'-(2,4-dimethylphenyl)-N'-methylpentane-1,5-diamine?
N-cyclopropyl-N'-(2,4-dimethylphenyl)-N'-methylpentane-1,5-diamine has a molecular weight of 260.43 g/mol, XLogP of 3.66, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N'-(2,4-dimethylphenyl)-N'-methylpentane-1,5-diamine is sourced from PubChem (CID 62434960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).