N'-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-N'-methylpropane-1,3-diamine

C13H28N2 — CID 107473176

IUPACN'-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-N'-methylpropane-1,3-diamine
SMILESCN(CC1CC1)CC(CN)CC(C)(C)C
InChIInChI=1S/C13H28N2/c1-13(2,3)7-12(8-14)10-15(4)9-11-5-6-11/h11-12H,5-10,14H2,1-4H3
InChIKeyMARARYPFKQOPSU-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.34
Rot. Bonds6

About N'-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-N'-methylpropane-1,3-diamine

N'-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-N'-methylpropane-1,3-diamine (PubChem CID 107473176) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is N'-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-N'-methylpropane-1,3-diamine
PubChem CID107473176
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC NameN'-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-N'-methylpropane-1,3-diamine
SMILESCN(CC1CC1)CC(CN)CC(C)(C)C
InChIInChI=1S/C13H28N2/c1-13(2,3)7-12(8-14)10-15(4)9-11-5-6-11/h11-12H,5-10,14H2,1-4H3
InChIKeyMARARYPFKQOPSU-UHFFFAOYSA-N
XLogP2.34
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-cyclopropyl-2-(2,2-dimethylpropyl)-N'-(2-methylpropyl)propane-1,3-diamine
CID 107473311
1-N-(cyclopropylmethyl)-1-N-methylpropane-1,2-diamine
CID 60984207
(2S)-1-N-(cyclopropylmethyl)-1-N-methylpropane-1,2-diamine
CID 93424361
3-N-(cyclopentylmethyl)-3-N-methylpropane-1,2,3-triamine
CID 115119915
N-[[4-(aminomethyl)cyclohexyl]methyl]-N,2,2-trimethylpropan-1-amine
CID 79533480
2-N-(cyclobutylmethyl)-2-N-ethyl-4,4-dimethylpentane-1,2-diamine
CID 107397832
2-(aminomethyl)-N-(cyclopropylmethyl)-N,4,4-trimethylpentanamide
CID 107471602
2-N-(cyclohexylmethyl)-2-N,4,4-trimethylpentane-1,2-diamine
CID 62950046
1-N-(cyclopropylmethyl)-1-N,3-dimethylbutane-1,2-diamine
CID 60985776
1-N,5,5-trimethyl-1-N-(oxan-4-ylmethyl)hexane-1,3-diamine
CID 113497188
N'-cyclopentyl-2-(2,2-dimethylpropyl)-N'-(3-methylbutyl)propane-1,3-diamine
CID 107473561
N'-(3-cyclopropylpropyl)-2-(2,2-dimethylpropyl)propane-1,3-diamine
CID 107473665

Frequently Asked Questions

What is the IUPAC name of N'-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-N'-methylpropane-1,3-diamine?
The IUPAC name of N'-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-N'-methylpropane-1,3-diamine (CID 107473176) is N'-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-N'-methylpropane-1,3-diamine.
What is the SMILES notation for N'-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-N'-methylpropane-1,3-diamine?
The canonical SMILES for N'-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-N'-methylpropane-1,3-diamine is CN(CC1CC1)CC(CN)CC(C)(C)C.
What is the InChIKey of N'-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-N'-methylpropane-1,3-diamine?
The InChIKey is MARARYPFKQOPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-13(2,3)7-12(8-14)10-15(4)9-11-5-6-11/h11-12H,5-10,14H2,1-4H3.
What are the key properties of N'-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-N'-methylpropane-1,3-diamine?
N'-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-N'-methylpropane-1,3-diamine has a molecular weight of 212.38 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 107473176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).