2-N-(cyclopentylmethyl)-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine

C14H30N2 — CID 63655708

IUPAC2-N-(cyclopentylmethyl)-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine
SMILESCC(C)CNCC(C)N(C)CC1CCCC1
InChIInChI=1S/C14H30N2/c1-12(2)9-15-10-13(3)16(4)11-14-7-5-6-8-14/h12-15H,5-11H2,1-4H3
InChIKeyFNXLUQFPHUZFOU-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.74
Rot. Bonds7

About 2-N-(cyclopentylmethyl)-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine

2-N-(cyclopentylmethyl)-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine (PubChem CID 63655708) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 2-N-(cyclopentylmethyl)-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-(cyclopentylmethyl)-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine
PubChem CID63655708
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name2-N-(cyclopentylmethyl)-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine
SMILESCC(C)CNCC(C)N(C)CC1CCCC1
InChIInChI=1S/C14H30N2/c1-12(2)9-15-10-13(3)16(4)11-14-7-5-6-8-14/h12-15H,5-11H2,1-4H3
InChIKeyFNXLUQFPHUZFOU-UHFFFAOYSA-N
XLogP2.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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

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Related Compounds

2-N-(cyclobutylmethyl)-2-N-methyl-1-N-propylpropane-1,2-diamine
CID 62854576
1-N-butyl-2-N-(cyclohexylmethyl)-2-N-methylpropane-1,2-diamine
CID 62568386
2-N-(cyclobutylmethyl)-2-N-methyl-1-N-prop-2-ynylpropane-1,2-diamine
CID 62856951
2-N-(cyclohexylmethyl)-2-N-methyl-1-N-pentylpropane-1,2-diamine
CID 63502062
1-N-cyclohexyl-2-N-(cyclohexylmethyl)-2-N-methylpropane-1,2-diamine
CID 62568908
1-N-butan-2-yl-2-N-(cyclohexylmethyl)-2-N-methylpropane-1,2-diamine
CID 62568202
2-N-methyl-1-N-(2-methylpropyl)-2-N-[(1-methylpyrrolidin-2-yl)methyl]propane-1,2-diamine
CID 79312780
2-N-(cyclopropylmethyl)-2-N-ethyl-1-N-(2-methylpropyl)propane-1,2-diamine
CID 63940650
2-[cyclohexylmethyl(methyl)amino]propan-1-ol
CID 115772276
2-N-cyclopropyl-2-N-(cyclopropylmethyl)-1-N-(2-methylpropyl)propane-1,2-diamine
CID 64520884
3-N-methyl-1-N-(2-methylpropyl)-3-N-(oxan-3-ylmethyl)butane-1,3-diamine
CID 63708130
N-(cyclobutylmethyl)-2,2-diethyl-N-methyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 55195024

Frequently Asked Questions

What is the IUPAC name of 2-N-(cyclopentylmethyl)-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine?
The IUPAC name of 2-N-(cyclopentylmethyl)-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine (CID 63655708) is 2-N-(cyclopentylmethyl)-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine.
What is the SMILES notation for 2-N-(cyclopentylmethyl)-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine?
The canonical SMILES for 2-N-(cyclopentylmethyl)-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine is CC(C)CNCC(C)N(C)CC1CCCC1.
What is the InChIKey of 2-N-(cyclopentylmethyl)-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine?
The InChIKey is FNXLUQFPHUZFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-12(2)9-15-10-13(3)16(4)11-14-7-5-6-8-14/h12-15H,5-11H2,1-4H3.
What are the key properties of 2-N-(cyclopentylmethyl)-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine?
2-N-(cyclopentylmethyl)-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine has a molecular weight of 226.41 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(cyclopentylmethyl)-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine is sourced from PubChem (CID 63655708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).