N'-(cyclopropylmethyl)-N-(2-methylpropyl)-N'-propan-2-ylpropane-1,3-diamine

C14H30N2 — CID 62413388

IUPACN'-(cyclopropylmethyl)-N-(2-methylpropyl)-N'-propan-2-ylpropane-1,3-diamine
SMILESCC(C)CNCCCN(CC1CC1)C(C)C
InChIInChI=1S/C14H30N2/c1-12(2)10-15-8-5-9-16(13(3)4)11-14-6-7-14/h12-15H,5-11H2,1-4H3
InChIKeyCJLQQYLBWWMSHS-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.74
Rot. Bonds9

About N'-(cyclopropylmethyl)-N-(2-methylpropyl)-N'-propan-2-ylpropane-1,3-diamine

N'-(cyclopropylmethyl)-N-(2-methylpropyl)-N'-propan-2-ylpropane-1,3-diamine (PubChem CID 62413388) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N'-(cyclopropylmethyl)-N-(2-methylpropyl)-N'-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(cyclopropylmethyl)-N-(2-methylpropyl)-N'-propan-2-ylpropane-1,3-diamine
PubChem CID62413388
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN'-(cyclopropylmethyl)-N-(2-methylpropyl)-N'-propan-2-ylpropane-1,3-diamine
SMILESCC(C)CNCCCN(CC1CC1)C(C)C
InChIInChI=1S/C14H30N2/c1-12(2)10-15-8-5-9-16(13(3)4)11-14-6-7-14/h12-15H,5-11H2,1-4H3
InChIKeyCJLQQYLBWWMSHS-UHFFFAOYSA-N
XLogP2.74
TPSA15.27 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 ≤ 52.74
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'-(cyclopropylmethyl)-N-(2-methoxyethyl)-N'-propan-2-ylpropane-1,3-diamine
CID 62563452
N-(cyclopropylmethyl)-N-propan-2-ylbutan-1-amine
CID 170060972
4-N-(cyclopropylmethyl)-1-N-(2-methylpropyl)-4-N-propan-2-ylpentane-1,4-diamine
CID 62412162
1-N-butyl-2-N-(cyclopropylmethyl)-2-N-propylpropane-1,2-diamine
CID 62568153
2-N-(cyclopropylmethyl)-2-N-ethyl-1-N-(2-methylpropyl)propane-1,2-diamine
CID 63940650
3-N-(cyclopropylmethyl)-1-N-(2-methylpropyl)-3-N-propan-2-ylbutane-1,3-diamine
CID 62412165
N'-(cyclobutylmethyl)-N'-methyl-N-(2-methylpropyl)pentane-1,5-diamine
CID 62854578
N-(2-methylpropyl)-N'-pentyl-N'-propan-2-ylpentane-1,5-diamine
CID 62462345
N'-(cyclopropylmethyl)-N-(3-methylbutan-2-yl)-N'-propan-2-ylethane-1,2-diamine
CID 62556874
N'-(cyclopropylmethyl)-2,2-dimethyl-N'-propan-2-ylpentane-1,5-diamine
CID 65254258
3-N-(cyclopropylmethyl)-2-methyl-1-N-(2-methylpropyl)-3-N-propylbutane-1,3-diamine
CID 81012962
N'-methyl-N-(2-methylpropyl)-N'-(oxan-4-ylmethyl)pentane-1,5-diamine
CID 63706666

Frequently Asked Questions

What is the IUPAC name of N'-(cyclopropylmethyl)-N-(2-methylpropyl)-N'-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N'-(cyclopropylmethyl)-N-(2-methylpropyl)-N'-propan-2-ylpropane-1,3-diamine (CID 62413388) is N'-(cyclopropylmethyl)-N-(2-methylpropyl)-N'-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N'-(cyclopropylmethyl)-N-(2-methylpropyl)-N'-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N'-(cyclopropylmethyl)-N-(2-methylpropyl)-N'-propan-2-ylpropane-1,3-diamine is CC(C)CNCCCN(CC1CC1)C(C)C.
What is the InChIKey of N'-(cyclopropylmethyl)-N-(2-methylpropyl)-N'-propan-2-ylpropane-1,3-diamine?
The InChIKey is CJLQQYLBWWMSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-12(2)10-15-8-5-9-16(13(3)4)11-14-6-7-14/h12-15H,5-11H2,1-4H3.
What are the key properties of N'-(cyclopropylmethyl)-N-(2-methylpropyl)-N'-propan-2-ylpropane-1,3-diamine?
N'-(cyclopropylmethyl)-N-(2-methylpropyl)-N'-propan-2-ylpropane-1,3-diamine has a molecular weight of 226.41 g/mol, XLogP of 2.74, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclopropylmethyl)-N-(2-methylpropyl)-N'-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 62413388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).