N,N'-dicyclopropyl-4-methylheptane-1,7-diamine

C14H28N2 — CID 66322125

IUPACN,N'-dicyclopropyl-4-methylheptane-1,7-diamine
SMILESCC(CCCNC1CC1)CCCNC1CC1
InChIInChI=1S/C14H28N2/c1-12(4-2-10-15-13-6-7-13)5-3-11-16-14-8-9-14/h12-16H,2-11H2,1H3
InChIKeyVPVLVMXKBMWLDJ-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.69
Rot. Bonds10

About N,N'-dicyclopropyl-4-methylheptane-1,7-diamine

N,N'-dicyclopropyl-4-methylheptane-1,7-diamine (PubChem CID 66322125) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is N,N'-dicyclopropyl-4-methylheptane-1,7-diamine.

Molecular Properties

Compound NameN,N'-dicyclopropyl-4-methylheptane-1,7-diamine
PubChem CID66322125
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC NameN,N'-dicyclopropyl-4-methylheptane-1,7-diamine
SMILESCC(CCCNC1CC1)CCCNC1CC1
InChIInChI=1S/C14H28N2/c1-12(4-2-10-15-13-6-7-13)5-3-11-16-14-8-9-14/h12-16H,2-11H2,1H3
InChIKeyVPVLVMXKBMWLDJ-UHFFFAOYSA-N
XLogP2.69
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methylhexyl)cyclopropanamine
CID 62529631
N'-cyclopropyl-3-methyl-N-propan-2-ylhexane-1,6-diamine
CID 66337356
N-(3-methyloctyl)cyclopropanamine
CID 81018953
N-(3-methylpentadecyl)cyclopropanamine
CID 81020007
N'-cyclobutyl-2-methylpentane-1,5-diamine
CID 82682689
1-N-cyclopropyl-4-N,4-N-dimethylpentane-1,4-diamine
CID 62418784
N-(5-chloro-4-methylpentyl)cycloheptanamine
CID 106153204
2-methyl-5-[(4-propan-2-ylcycloheptyl)amino]pentan-1-ol
CID 113340266
N'-cyclopropyl-2-methyl-N-(2-methylpropyl)hexane-1,6-diamine
CID 66321917
5-[(4-propan-2-ylcyclohexyl)amino]pentan-2-ol
CID 107267674
N'-(3-ethylcyclopentyl)-3-methylhexane-1,6-diamine
CID 141360675
N,N'-dicyclopropyloctane-1,8-diamine
CID 66337537

Frequently Asked Questions

What is the IUPAC name of N,N'-dicyclopropyl-4-methylheptane-1,7-diamine?
The IUPAC name of N,N'-dicyclopropyl-4-methylheptane-1,7-diamine (CID 66322125) is N,N'-dicyclopropyl-4-methylheptane-1,7-diamine.
What is the SMILES notation for N,N'-dicyclopropyl-4-methylheptane-1,7-diamine?
The canonical SMILES for N,N'-dicyclopropyl-4-methylheptane-1,7-diamine is CC(CCCNC1CC1)CCCNC1CC1.
What is the InChIKey of N,N'-dicyclopropyl-4-methylheptane-1,7-diamine?
The InChIKey is VPVLVMXKBMWLDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-12(4-2-10-15-13-6-7-13)5-3-11-16-14-8-9-14/h12-16H,2-11H2,1H3.
What are the key properties of N,N'-dicyclopropyl-4-methylheptane-1,7-diamine?
N,N'-dicyclopropyl-4-methylheptane-1,7-diamine has a molecular weight of 224.39 g/mol, XLogP of 2.69, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dicyclopropyl-4-methylheptane-1,7-diamine is sourced from PubChem (CID 66322125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).