N'-(cyclopropylmethyl)-N'-methyl-N-pentan-2-ylethane-1,2-diamine

C12H26N2 — CID 62561272

IUPACN'-(cyclopropylmethyl)-N'-methyl-N-pentan-2-ylethane-1,2-diamine
SMILESCCCC(C)NCCN(C)CC1CC1
InChIInChI=1S/C12H26N2/c1-4-5-11(2)13-8-9-14(3)10-12-6-7-12/h11-13H,4-10H2,1-3H3
InChIKeyWATQQGLPNVWOPL-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.11
Rot. Bonds8

About N'-(cyclopropylmethyl)-N'-methyl-N-pentan-2-ylethane-1,2-diamine

N'-(cyclopropylmethyl)-N'-methyl-N-pentan-2-ylethane-1,2-diamine (PubChem CID 62561272) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is N'-(cyclopropylmethyl)-N'-methyl-N-pentan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(cyclopropylmethyl)-N'-methyl-N-pentan-2-ylethane-1,2-diamine
PubChem CID62561272
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC NameN'-(cyclopropylmethyl)-N'-methyl-N-pentan-2-ylethane-1,2-diamine
SMILESCCCC(C)NCCN(C)CC1CC1
InChIInChI=1S/C12H26N2/c1-4-5-11(2)13-8-9-14(3)10-12-6-7-12/h11-13H,4-10H2,1-3H3
InChIKeyWATQQGLPNVWOPL-UHFFFAOYSA-N
XLogP2.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(cyclopropylmethyl)-N'-methyl-N-(5-methylhexan-2-yl)ethane-1,2-diamine
CID 62561284
1-N-(cyclopentylmethyl)-1-N-methyl-3-N-propylbutane-1,3-diamine
CID 63632628
N-butan-2-yl-N'-(cyclopentylmethyl)-N'-methylethane-1,2-diamine
CID 63657941
N'-(cyclopropylmethyl)-N'-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine
CID 62561624
N-heptan-2-yl-N'-methyl-N'-(oxan-3-ylmethyl)ethane-1,2-diamine
CID 63705997
N'-(cyclopropylmethyl)-N'-methyl-N-propylethane-1,2-diamine
CID 61387224
N'-methyl-N-pentan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62559719
1-N-(cyclopropylmethyl)-1-N-methyl-2-N-propylpentane-1,2-diamine
CID 62043365
N'-methyl-N'-(oxan-4-yl)-N-pentan-2-ylethane-1,2-diamine
CID 62561007
4-cyclopropyl-N-propylbutan-2-amine
CID 64504498
N-methyl-N-[(4-propan-2-ylcyclohexyl)methyl]butan-1-amine
CID 170005611
N'-(cyclopentylmethyl)-N'-methyl-N-propylethane-1,2-diamine
CID 62594002

Frequently Asked Questions

What is the IUPAC name of N'-(cyclopropylmethyl)-N'-methyl-N-pentan-2-ylethane-1,2-diamine?
The IUPAC name of N'-(cyclopropylmethyl)-N'-methyl-N-pentan-2-ylethane-1,2-diamine (CID 62561272) is N'-(cyclopropylmethyl)-N'-methyl-N-pentan-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-(cyclopropylmethyl)-N'-methyl-N-pentan-2-ylethane-1,2-diamine?
The canonical SMILES for N'-(cyclopropylmethyl)-N'-methyl-N-pentan-2-ylethane-1,2-diamine is CCCC(C)NCCN(C)CC1CC1.
What is the InChIKey of N'-(cyclopropylmethyl)-N'-methyl-N-pentan-2-ylethane-1,2-diamine?
The InChIKey is WATQQGLPNVWOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-4-5-11(2)13-8-9-14(3)10-12-6-7-12/h11-13H,4-10H2,1-3H3.
What are the key properties of N'-(cyclopropylmethyl)-N'-methyl-N-pentan-2-ylethane-1,2-diamine?
N'-(cyclopropylmethyl)-N'-methyl-N-pentan-2-ylethane-1,2-diamine has a molecular weight of 198.35 g/mol, XLogP of 2.11, 8 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-pentan-2-ylethane-1,2-diamine is sourced from PubChem (CID 62561272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).