N'-cyclopropyl-2-methyl-N'-(3-methylbutyl)pentane-1,5-diamine

C14H30N2 — CID 82684072

IUPACN'-cyclopropyl-2-methyl-N'-(3-methylbutyl)pentane-1,5-diamine
SMILESCC(C)CCN(CCCC(C)CN)C1CC1
InChIInChI=1S/C14H30N2/c1-12(2)8-10-16(14-6-7-14)9-4-5-13(3)11-15/h12-14H,4-11,15H2,1-3H3
InChIKeyITJOGGZRKVBHQQ-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.87
Rot. Bonds9

About N'-cyclopropyl-2-methyl-N'-(3-methylbutyl)pentane-1,5-diamine

N'-cyclopropyl-2-methyl-N'-(3-methylbutyl)pentane-1,5-diamine (PubChem CID 82684072) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N'-cyclopropyl-2-methyl-N'-(3-methylbutyl)pentane-1,5-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-2-methyl-N'-(3-methylbutyl)pentane-1,5-diamine
PubChem CID82684072
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN'-cyclopropyl-2-methyl-N'-(3-methylbutyl)pentane-1,5-diamine
SMILESCC(C)CCN(CCCC(C)CN)C1CC1
InChIInChI=1S/C14H30N2/c1-12(2)8-10-16(14-6-7-14)9-4-5-13(3)11-15/h12-14H,4-11,15H2,1-3H3
InChIKeyITJOGGZRKVBHQQ-UHFFFAOYSA-N
XLogP2.87
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-cyclopropyl-2-methyl-N'-(3-methylbutyl)propane-1,3-diamine
CID 78973832
N'-cyclopropyl-N'-(4-methylpentyl)ethane-1,2-diamine
CID 83157183
N'-cyclopropyl-N'-ethyl-2-methylbutane-1,4-diamine
CID 81079659
N'-cyclopropyl-2,2-dimethyl-N'-(3-methylbutyl)pentane-1,5-diamine
CID 79005112
N'-cyclopropyl-3,3-dimethyl-N'-(3-methylbutyl)hexane-1,6-diamine
CID 79005181
1-N-cyclopropyl-4-N-ethyl-1-N-(3-methylbutyl)pentane-1,4-diamine
CID 78977536
N'-butyl-N'-cyclopropyl-2-methoxybutane-1,4-diamine
CID 103152316
5-[cyclopropyl(3-methylbutyl)amino]pentan-2-one
CID 78974221
N'-cyclopropyl-N'-(3-methylbutyl)-N-propan-2-ylhexane-1,6-diamine
CID 78967616
1-amino-4-[butyl(cyclopropyl)amino]butan-2-ol
CID 64819553
N,N'-dicyclopropyl-N'-(3-methylbutyl)pentane-1,5-diamine
CID 78989930
1-N-cyclopropyl-1-N-(3-methylbutyl)butane-1,2-diamine
CID 78974367

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-2-methyl-N'-(3-methylbutyl)pentane-1,5-diamine?
The IUPAC name of N'-cyclopropyl-2-methyl-N'-(3-methylbutyl)pentane-1,5-diamine (CID 82684072) is N'-cyclopropyl-2-methyl-N'-(3-methylbutyl)pentane-1,5-diamine.
What is the SMILES notation for N'-cyclopropyl-2-methyl-N'-(3-methylbutyl)pentane-1,5-diamine?
The canonical SMILES for N'-cyclopropyl-2-methyl-N'-(3-methylbutyl)pentane-1,5-diamine is CC(C)CCN(CCCC(C)CN)C1CC1.
What is the InChIKey of N'-cyclopropyl-2-methyl-N'-(3-methylbutyl)pentane-1,5-diamine?
The InChIKey is ITJOGGZRKVBHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-12(2)8-10-16(14-6-7-14)9-4-5-13(3)11-15/h12-14H,4-11,15H2,1-3H3.
What are the key properties of N'-cyclopropyl-2-methyl-N'-(3-methylbutyl)pentane-1,5-diamine?
N'-cyclopropyl-2-methyl-N'-(3-methylbutyl)pentane-1,5-diamine has a molecular weight of 226.41 g/mol, XLogP of 2.87, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-2-methyl-N'-(3-methylbutyl)pentane-1,5-diamine is sourced from PubChem (CID 82684072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).