N-cyclopropyl-N'-methyl-N'-pentylbutane-1,4-diamine

C13H28N2 — CID 62420379

IUPACN-cyclopropyl-N'-methyl-N'-pentylbutane-1,4-diamine
SMILESCCCCCN(C)CCCCNC1CC1
InChIInChI=1S/C13H28N2/c1-3-4-6-11-15(2)12-7-5-10-14-13-8-9-13/h13-14H,3-12H2,1-2H3
InChIKeyQYPLBXXMJQRYLG-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.64
Rot. Bonds10

About N-cyclopropyl-N'-methyl-N'-pentylbutane-1,4-diamine

N-cyclopropyl-N'-methyl-N'-pentylbutane-1,4-diamine (PubChem CID 62420379) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is N-cyclopropyl-N'-methyl-N'-pentylbutane-1,4-diamine.

Molecular Properties

Compound NameN-cyclopropyl-N'-methyl-N'-pentylbutane-1,4-diamine
PubChem CID62420379
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC NameN-cyclopropyl-N'-methyl-N'-pentylbutane-1,4-diamine
SMILESCCCCCN(C)CCCCNC1CC1
InChIInChI=1S/C13H28N2/c1-3-4-6-11-15(2)12-7-5-10-14-13-8-9-13/h13-14H,3-12H2,1-2H3
InChIKeyQYPLBXXMJQRYLG-UHFFFAOYSA-N
XLogP2.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.64
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-cyclohexyl-N'-methyl-N'-pentylethane-1,2-diamine
CID 62574766
N-cyclopropyl-N'-methyl-N'-(2-methylsulfanylethyl)butane-1,4-diamine
CID 112665474
N'-cyclopropyl-N-decylpropane-1,3-diamine
CID 113410376
4-N-methyl-4-N-octyl-1-N-propylcyclohexane-1,4-diamine
CID 79122187
N'-(cyclohexylmethyl)-N-cyclopropyl-N'-methylbutane-1,4-diamine
CID 62412368
N-cyclopropyl-N',N'-diethylpentane-1,5-diamine
CID 62438484
4-chloro-N-decylcyclohexan-1-amine
CID 65024074
4-chloro-N-hexylcyclohexan-1-amine
CID 65024365
4-chloro-N-octylcyclohexan-1-amine
CID 65023952
N-decyl-4-ethylcyclohexan-1-amine
CID 63492402
N-pentyl-4-propan-2-ylcyclohexan-1-amine
CID 63418461
N'-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-cyclopropyl-N'-methylethane-1,2-diamine
CID 104563816

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N'-methyl-N'-pentylbutane-1,4-diamine?
The IUPAC name of N-cyclopropyl-N'-methyl-N'-pentylbutane-1,4-diamine (CID 62420379) is N-cyclopropyl-N'-methyl-N'-pentylbutane-1,4-diamine.
What is the SMILES notation for N-cyclopropyl-N'-methyl-N'-pentylbutane-1,4-diamine?
The canonical SMILES for N-cyclopropyl-N'-methyl-N'-pentylbutane-1,4-diamine is CCCCCN(C)CCCCNC1CC1.
What is the InChIKey of N-cyclopropyl-N'-methyl-N'-pentylbutane-1,4-diamine?
The InChIKey is QYPLBXXMJQRYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-3-4-6-11-15(2)12-7-5-10-14-13-8-9-13/h13-14H,3-12H2,1-2H3.
What are the key properties of N-cyclopropyl-N'-methyl-N'-pentylbutane-1,4-diamine?
N-cyclopropyl-N'-methyl-N'-pentylbutane-1,4-diamine has a molecular weight of 212.38 g/mol, XLogP of 2.64, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N'-methyl-N'-pentylbutane-1,4-diamine is sourced from PubChem (CID 62420379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).