2,2-dimethyl-N'-[(1-methylcyclopentyl)methyl]propane-1,3-diamine

C12H26N2 — CID 115426986

IUPAC2,2-dimethyl-N'-[(1-methylcyclopentyl)methyl]propane-1,3-diamine
SMILESCC(C)(CN)CNCC1(C)CCCC1
InChIInChI=1S/C12H26N2/c1-11(2,8-13)9-14-10-12(3)6-4-5-7-12/h14H,4-10,13H2,1-3H3
InChIKeyJNGPXRAWWFBZSU-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.14
Rot. Bonds5

About 2,2-dimethyl-N'-[(1-methylcyclopentyl)methyl]propane-1,3-diamine

2,2-dimethyl-N'-[(1-methylcyclopentyl)methyl]propane-1,3-diamine (PubChem CID 115426986) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 2,2-dimethyl-N'-[(1-methylcyclopentyl)methyl]propane-1,3-diamine.

Molecular Properties

Compound Name2,2-dimethyl-N'-[(1-methylcyclopentyl)methyl]propane-1,3-diamine
PubChem CID115426986
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name2,2-dimethyl-N'-[(1-methylcyclopentyl)methyl]propane-1,3-diamine
SMILESCC(C)(CN)CNCC1(C)CCCC1
InChIInChI=1S/C12H26N2/c1-11(2,8-13)9-14-10-12(3)6-4-5-7-12/h14H,4-10,13H2,1-3H3
InChIKeyJNGPXRAWWFBZSU-UHFFFAOYSA-N
XLogP2.14
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4,4-dimethyl-5-[(1-methylcyclopentyl)methylamino]pentanenitrile
CID 115653658
2-methyl-1-[(1-methylcyclobutyl)methylamino]propan-2-ol
CID 103734842
3,3-dimethyl-1-N-[(1-methylcyclopentyl)methyl]butane-1,2-diamine
CID 112556001
2-methyl-2-[[(1-methylcyclopentyl)methylamino]methyl]butan-1-ol
CID 81418444
2-methoxy-N'-[(1-methylcyclopentyl)methyl]propane-1,3-diamine
CID 106114849
3,3-dimethyl-N-[(1-methylcyclopentyl)methyl]butan-1-amine
CID 63821289
1-N-[(1-methylcyclopentyl)methyl]propane-1,2-diamine
CID 63831246
1-[(1-methylcyclopentyl)methylamino]-2-phenylpropan-2-ol
CID 63830115
cyclohexane-1,1-diamine;2,2-dimethylpropane-1,3-diamine
CID 70518609
2-methyl-N-[(1-methylcyclobutyl)methyl]propan-1-amine
CID 65196169
(1-methylcyclotridecyl)methylhydrazine
CID 154988457
1-[[(1-methylcyclopentyl)methylamino]methyl]cyclopentan-1-ol
CID 65211055

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N'-[(1-methylcyclopentyl)methyl]propane-1,3-diamine?
The IUPAC name of 2,2-dimethyl-N'-[(1-methylcyclopentyl)methyl]propane-1,3-diamine (CID 115426986) is 2,2-dimethyl-N'-[(1-methylcyclopentyl)methyl]propane-1,3-diamine.
What is the SMILES notation for 2,2-dimethyl-N'-[(1-methylcyclopentyl)methyl]propane-1,3-diamine?
The canonical SMILES for 2,2-dimethyl-N'-[(1-methylcyclopentyl)methyl]propane-1,3-diamine is CC(C)(CN)CNCC1(C)CCCC1.
What is the InChIKey of 2,2-dimethyl-N'-[(1-methylcyclopentyl)methyl]propane-1,3-diamine?
The InChIKey is JNGPXRAWWFBZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-11(2,8-13)9-14-10-12(3)6-4-5-7-12/h14H,4-10,13H2,1-3H3.
What are the key properties of 2,2-dimethyl-N'-[(1-methylcyclopentyl)methyl]propane-1,3-diamine?
2,2-dimethyl-N'-[(1-methylcyclopentyl)methyl]propane-1,3-diamine has a molecular weight of 198.35 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N'-[(1-methylcyclopentyl)methyl]propane-1,3-diamine is sourced from PubChem (CID 115426986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).