N'-(cyclopropylmethyl)-2,2-dimethyl-N'-propan-2-ylpentane-1,5-diamine

C14H30N2 — CID 65254258

IUPACN'-(cyclopropylmethyl)-2,2-dimethyl-N'-propan-2-ylpentane-1,5-diamine
SMILESCC(C)N(CCCC(C)(C)CN)CC1CC1
InChIInChI=1S/C14H30N2/c1-12(2)16(10-13-6-7-13)9-5-8-14(3,4)11-15/h12-13H,5-11,15H2,1-4H3
InChIKeyBHYPSSSYSMCIOY-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.87
Rot. Bonds8

About N'-(cyclopropylmethyl)-2,2-dimethyl-N'-propan-2-ylpentane-1,5-diamine

N'-(cyclopropylmethyl)-2,2-dimethyl-N'-propan-2-ylpentane-1,5-diamine (PubChem CID 65254258) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N'-(cyclopropylmethyl)-2,2-dimethyl-N'-propan-2-ylpentane-1,5-diamine.

Molecular Properties

Compound NameN'-(cyclopropylmethyl)-2,2-dimethyl-N'-propan-2-ylpentane-1,5-diamine
PubChem CID65254258
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN'-(cyclopropylmethyl)-2,2-dimethyl-N'-propan-2-ylpentane-1,5-diamine
SMILESCC(C)N(CCCC(C)(C)CN)CC1CC1
InChIInChI=1S/C14H30N2/c1-12(2)16(10-13-6-7-13)9-5-8-14(3,4)11-15/h12-13H,5-11,15H2,1-4H3
InChIKeyBHYPSSSYSMCIOY-UHFFFAOYSA-N
XLogP2.87
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N'-(cyclopropylmethyl)-2,2-dimethyl-N'-propan-2-ylpentane-1,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-(cyclopropylmethyl)-2,2-dimethyl-N'-propan-2-ylpentane-1,5-diamine?
The IUPAC name of N'-(cyclopropylmethyl)-2,2-dimethyl-N'-propan-2-ylpentane-1,5-diamine (CID 65254258) is N'-(cyclopropylmethyl)-2,2-dimethyl-N'-propan-2-ylpentane-1,5-diamine.
What is the SMILES notation for N'-(cyclopropylmethyl)-2,2-dimethyl-N'-propan-2-ylpentane-1,5-diamine?
The canonical SMILES for N'-(cyclopropylmethyl)-2,2-dimethyl-N'-propan-2-ylpentane-1,5-diamine is CC(C)N(CCCC(C)(C)CN)CC1CC1.
What is the InChIKey of N'-(cyclopropylmethyl)-2,2-dimethyl-N'-propan-2-ylpentane-1,5-diamine?
The InChIKey is BHYPSSSYSMCIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-12(2)16(10-13-6-7-13)9-5-8-14(3,4)11-15/h12-13H,5-11,15H2,1-4H3.
What are the key properties of N'-(cyclopropylmethyl)-2,2-dimethyl-N'-propan-2-ylpentane-1,5-diamine?
N'-(cyclopropylmethyl)-2,2-dimethyl-N'-propan-2-ylpentane-1,5-diamine has a molecular weight of 226.41 g/mol, XLogP of 2.87, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclopropylmethyl)-2,2-dimethyl-N'-propan-2-ylpentane-1,5-diamine is sourced from PubChem (CID 65254258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).