N'-(cyclopropylmethyl)-N'-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine

C12H26N2 — CID 62561624

IUPACN'-(cyclopropylmethyl)-N'-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine
SMILESCC(C)C(C)NCCN(C)CC1CC1
InChIInChI=1S/C12H26N2/c1-10(2)11(3)13-7-8-14(4)9-12-5-6-12/h10-13H,5-9H2,1-4H3
InChIKeyJEZBHHVEUWAHNX-UHFFFAOYSA-N
MW198.35 g/mol
LogP1.96
Rot. Bonds7

About N'-(cyclopropylmethyl)-N'-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine

N'-(cyclopropylmethyl)-N'-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine (PubChem CID 62561624) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is N'-(cyclopropylmethyl)-N'-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(cyclopropylmethyl)-N'-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine
PubChem CID62561624
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC NameN'-(cyclopropylmethyl)-N'-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine
SMILESCC(C)C(C)NCCN(C)CC1CC1
InChIInChI=1S/C12H26N2/c1-10(2)11(3)13-7-8-14(4)9-12-5-6-12/h10-13H,5-9H2,1-4H3
InChIKeyJEZBHHVEUWAHNX-UHFFFAOYSA-N
XLogP1.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(cyclopropylmethyl)-N-(3-methylbutan-2-yl)-N'-propan-2-ylethane-1,2-diamine
CID 62556874
N'-(cyclopropylmethyl)-N'-methyl-N-pentan-2-ylethane-1,2-diamine
CID 62561272
N'-(cyclopropylmethyl)-N'-methyl-N-(5-methylhexan-2-yl)ethane-1,2-diamine
CID 62561284
N-butan-2-yl-N'-(cyclopentylmethyl)-N'-methylethane-1,2-diamine
CID 63657941
N'-[2-(dimethylamino)ethyl]-N'-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine
CID 63725314
N'-(cyclopropylmethyl)-N'-methyl-N-propylethane-1,2-diamine
CID 61387224
N-methyl-N-[(4-propan-2-ylcyclohexyl)methyl]butan-1-amine
CID 170005611
N'-(cyclohexylmethyl)-N'-methyl-N-propan-2-ylpentane-1,5-diamine
CID 62412553
N'-(2-ethoxyethyl)-N'-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine
CID 81068490
N'-(cyclohexylmethyl)-N-(cyclopropylmethyl)-N'-methylethane-1,2-diamine
CID 61447834
1-N-(cyclopentylmethyl)-1-N-methyl-3-N-propylbutane-1,3-diamine
CID 63632628
N'-methyl-N'-(oxan-2-ylmethyl)-N-propan-2-ylethane-1,2-diamine
CID 61436349

Frequently Asked Questions

What is the IUPAC name of N'-(cyclopropylmethyl)-N'-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine?
The IUPAC name of N'-(cyclopropylmethyl)-N'-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine (CID 62561624) is N'-(cyclopropylmethyl)-N'-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(cyclopropylmethyl)-N'-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(cyclopropylmethyl)-N'-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine is CC(C)C(C)NCCN(C)CC1CC1.
What is the InChIKey of N'-(cyclopropylmethyl)-N'-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine?
The InChIKey is JEZBHHVEUWAHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-10(2)11(3)13-7-8-14(4)9-12-5-6-12/h10-13H,5-9H2,1-4H3.
What are the key properties of N'-(cyclopropylmethyl)-N'-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine?
N'-(cyclopropylmethyl)-N'-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine has a molecular weight of 198.35 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclopropylmethyl)-N'-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 62561624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).