N'-(3-cyclopropylpropyl)-2-(2,2-dimethylpropyl)propane-1,3-diamine

C14H30N2 — CID 107473665

IUPACN'-(3-cyclopropylpropyl)-2-(2,2-dimethylpropyl)propane-1,3-diamine
SMILESCC(C)(C)CC(CN)CNCCCC1CC1
InChIInChI=1S/C14H30N2/c1-14(2,3)9-13(10-15)11-16-8-4-5-12-6-7-12/h12-13,16H,4-11,15H2,1-3H3
InChIKeyVGNFFYYBGBFRNH-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.78
Rot. Bonds8

About N'-(3-cyclopropylpropyl)-2-(2,2-dimethylpropyl)propane-1,3-diamine

N'-(3-cyclopropylpropyl)-2-(2,2-dimethylpropyl)propane-1,3-diamine (PubChem CID 107473665) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N'-(3-cyclopropylpropyl)-2-(2,2-dimethylpropyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(3-cyclopropylpropyl)-2-(2,2-dimethylpropyl)propane-1,3-diamine
PubChem CID107473665
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN'-(3-cyclopropylpropyl)-2-(2,2-dimethylpropyl)propane-1,3-diamine
SMILESCC(C)(C)CC(CN)CNCCCC1CC1
InChIInChI=1S/C14H30N2/c1-14(2,3)9-13(10-15)11-16-8-4-5-12-6-7-12/h12-13,16H,4-11,15H2,1-3H3
InChIKeyVGNFFYYBGBFRNH-UHFFFAOYSA-N
XLogP2.78
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(3-cyclopropylpropyl)-2-(2,2-dimethylpropyl)propane-1,3-diamine?
The IUPAC name of N'-(3-cyclopropylpropyl)-2-(2,2-dimethylpropyl)propane-1,3-diamine (CID 107473665) is N'-(3-cyclopropylpropyl)-2-(2,2-dimethylpropyl)propane-1,3-diamine.
What is the SMILES notation for N'-(3-cyclopropylpropyl)-2-(2,2-dimethylpropyl)propane-1,3-diamine?
The canonical SMILES for N'-(3-cyclopropylpropyl)-2-(2,2-dimethylpropyl)propane-1,3-diamine is CC(C)(C)CC(CN)CNCCCC1CC1.
What is the InChIKey of N'-(3-cyclopropylpropyl)-2-(2,2-dimethylpropyl)propane-1,3-diamine?
The InChIKey is VGNFFYYBGBFRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-14(2,3)9-13(10-15)11-16-8-4-5-12-6-7-12/h12-13,16H,4-11,15H2,1-3H3.
What are the key properties of N'-(3-cyclopropylpropyl)-2-(2,2-dimethylpropyl)propane-1,3-diamine?
N'-(3-cyclopropylpropyl)-2-(2,2-dimethylpropyl)propane-1,3-diamine has a molecular weight of 226.41 g/mol, XLogP of 2.78, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-cyclopropylpropyl)-2-(2,2-dimethylpropyl)propane-1,3-diamine is sourced from PubChem (CID 107473665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).