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

C12H24N2 — CID 103070075

IUPACN'-cyclopropyl-N'-(3-methylbutyl)-2-methylidenepropane-1,3-diamine
SMILESC=C(CN)CN(CCC(C)C)C1CC1
InChIInChI=1S/C12H24N2/c1-10(2)6-7-14(12-4-5-12)9-11(3)8-13/h10,12H,3-9,13H2,1-2H3
InChIKeyNGPCYYBDGZKRFI-UHFFFAOYSA-N
MW196.34 g/mol
LogP2.01
Rot. Bonds7

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

N'-cyclopropyl-N'-(3-methylbutyl)-2-methylidenepropane-1,3-diamine (PubChem CID 103070075) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is N'-cyclopropyl-N'-(3-methylbutyl)-2-methylidenepropane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N'-(3-methylbutyl)-2-methylidenepropane-1,3-diamine
PubChem CID103070075
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC NameN'-cyclopropyl-N'-(3-methylbutyl)-2-methylidenepropane-1,3-diamine
SMILESC=C(CN)CN(CCC(C)C)C1CC1
InChIInChI=1S/C12H24N2/c1-10(2)6-7-14(12-4-5-12)9-11(3)8-13/h10,12H,3-9,13H2,1-2H3
InChIKeyNGPCYYBDGZKRFI-UHFFFAOYSA-N
XLogP2.01
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-N'-ethyl-N-(3-methylbutyl)-2-methylidenepropane-1,3-diamine
CID 103070074
N-[2-(chloromethyl)prop-2-enyl]-N-(3-methylbutyl)cyclopentanamine
CID 103067923
2-[[cyclopentyl(3-methylbutyl)amino]methyl]prop-2-ene-1-thiol
CID 103073511
N'-cyclopropyl-2-methyl-N'-(3-methylbutyl)propane-1,3-diamine
CID 78973832
N'-cyclopropyl-2-methyl-N'-(3-methylbutyl)pentane-1,5-diamine
CID 82684072
1-N-cyclopropyl-1-N-(3-methylbutyl)butane-1,2-diamine
CID 78974367
N-cyclopropyl-N'-methyl-2-methylidene-N-(2-methylpropyl)propane-1,3-diamine
CID 103070023
2-[cyclopropyl(3-methylbutyl)amino]-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 78974200
N-cyclopropyl-N'-ethyl-2-methylidene-N-(2-methylpropyl)propane-1,3-diamine
CID 103070025
1-N-cyclopropyl-1-N-(3-methylbutyl)pentane-1,2-diamine
CID 78974349
3-[cyclopropyl(3-methylbutyl)amino]propanoic acid
CID 60839527
N'-cyclopropyl-2,2-dimethyl-N'-(3-methylbutyl)pentane-1,5-diamine
CID 79005112

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N'-(3-methylbutyl)-2-methylidenepropane-1,3-diamine?
The IUPAC name of N'-cyclopropyl-N'-(3-methylbutyl)-2-methylidenepropane-1,3-diamine (CID 103070075) is N'-cyclopropyl-N'-(3-methylbutyl)-2-methylidenepropane-1,3-diamine.
What is the SMILES notation for N'-cyclopropyl-N'-(3-methylbutyl)-2-methylidenepropane-1,3-diamine?
The canonical SMILES for N'-cyclopropyl-N'-(3-methylbutyl)-2-methylidenepropane-1,3-diamine is C=C(CN)CN(CCC(C)C)C1CC1.
What is the InChIKey of N'-cyclopropyl-N'-(3-methylbutyl)-2-methylidenepropane-1,3-diamine?
The InChIKey is NGPCYYBDGZKRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-10(2)6-7-14(12-4-5-12)9-11(3)8-13/h10,12H,3-9,13H2,1-2H3.
What are the key properties of N'-cyclopropyl-N'-(3-methylbutyl)-2-methylidenepropane-1,3-diamine?
N'-cyclopropyl-N'-(3-methylbutyl)-2-methylidenepropane-1,3-diamine has a molecular weight of 196.34 g/mol, XLogP of 2.01, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N'-(3-methylbutyl)-2-methylidenepropane-1,3-diamine is sourced from PubChem (CID 103070075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).