N'-cyclopropyl-2-methyl-N'-(3-methylbutyl)propane-1,3-diamine

C12H26N2 — CID 78973832

IUPACN'-cyclopropyl-2-methyl-N'-(3-methylbutyl)propane-1,3-diamine
SMILESCC(C)CCN(CC(C)CN)C1CC1
InChIInChI=1S/C12H26N2/c1-10(2)6-7-14(12-4-5-12)9-11(3)8-13/h10-12H,4-9,13H2,1-3H3
InChIKeyQPKAYDTYHBVHAW-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.09
Rot. Bonds7

About N'-cyclopropyl-2-methyl-N'-(3-methylbutyl)propane-1,3-diamine

N'-cyclopropyl-2-methyl-N'-(3-methylbutyl)propane-1,3-diamine (PubChem CID 78973832) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is N'-cyclopropyl-2-methyl-N'-(3-methylbutyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-2-methyl-N'-(3-methylbutyl)propane-1,3-diamine
PubChem CID78973832
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC NameN'-cyclopropyl-2-methyl-N'-(3-methylbutyl)propane-1,3-diamine
SMILESCC(C)CCN(CC(C)CN)C1CC1
InChIInChI=1S/C12H26N2/c1-10(2)6-7-14(12-4-5-12)9-11(3)8-13/h10-12H,4-9,13H2,1-3H3
InChIKeyQPKAYDTYHBVHAW-UHFFFAOYSA-N
XLogP2.09
TPSA29.26 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 ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-cyclopropyl-2-methyl-N'-(3-methylbutyl)pentane-1,5-diamine
CID 82684072
N'-cyclopropyl-N'-ethyl-2-methylbutane-1,4-diamine
CID 81079659
1-N-cyclopropyl-1-N-(3-methylbutyl)butane-1,2-diamine
CID 78974367
N'-cyclopropyl-2-ethyl-N'-(2-methylpropyl)butane-1,4-diamine
CID 81080018
1-N-cyclopropyl-1-N-(3-methylbutyl)pentane-1,2-diamine
CID 78974349
N'-cyclopentyl-2-(2,2-dimethylpropyl)-N'-(3-methylbutyl)propane-1,3-diamine
CID 107473561
N'-cyclopropyl-N'-(3-methylbutyl)-2-methylidenepropane-1,3-diamine
CID 103070075
N-cyclopropyl-N-(2-methoxyethyl)-2-methylbutane-1,4-diamine
CID 80544285
1-cyclopentyl-3-[cyclopropyl(3-methylbutyl)amino]propan-2-ol
CID 103159907
N'-benzyl-N'-cyclopropyl-2-methylpropane-1,3-diamine
CID 43575852
N'-cyclopropyl-2,2-dimethyl-N'-(3-methylbutyl)pentane-1,5-diamine
CID 79005112
N'-cyclopropyl-N'-(4-methylpentyl)ethane-1,2-diamine
CID 83157183

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-2-methyl-N'-(3-methylbutyl)propane-1,3-diamine?
The IUPAC name of N'-cyclopropyl-2-methyl-N'-(3-methylbutyl)propane-1,3-diamine (CID 78973832) is N'-cyclopropyl-2-methyl-N'-(3-methylbutyl)propane-1,3-diamine.
What is the SMILES notation for N'-cyclopropyl-2-methyl-N'-(3-methylbutyl)propane-1,3-diamine?
The canonical SMILES for N'-cyclopropyl-2-methyl-N'-(3-methylbutyl)propane-1,3-diamine is CC(C)CCN(CC(C)CN)C1CC1.
What is the InChIKey of N'-cyclopropyl-2-methyl-N'-(3-methylbutyl)propane-1,3-diamine?
The InChIKey is QPKAYDTYHBVHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-10(2)6-7-14(12-4-5-12)9-11(3)8-13/h10-12H,4-9,13H2,1-3H3.
What are the key properties of N'-cyclopropyl-2-methyl-N'-(3-methylbutyl)propane-1,3-diamine?
N'-cyclopropyl-2-methyl-N'-(3-methylbutyl)propane-1,3-diamine has a molecular weight of 198.35 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-2-methyl-N'-(3-methylbutyl)propane-1,3-diamine is sourced from PubChem (CID 78973832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).