2-N,2-N,2-trimethyl-1-(2-phenylcyclopropyl)butane-1,2-diamine

C16H26N2 — CID 116517679

IUPAC2-N,2-N,2-trimethyl-1-(2-phenylcyclopropyl)butane-1,2-diamine
SMILESCCC(C)(C(N)C1CC1c1ccccc1)N(C)C
InChIInChI=1S/C16H26N2/c1-5-16(2,18(3)4)15(17)14-11-13(14)12-9-7-6-8-10-12/h6-10,13-15H,5,11,17H2,1-4H3
InChIKeyLPBOIRPOKIAATF-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.85
Rot. Bonds5

About 2-N,2-N,2-trimethyl-1-(2-phenylcyclopropyl)butane-1,2-diamine

2-N,2-N,2-trimethyl-1-(2-phenylcyclopropyl)butane-1,2-diamine (PubChem CID 116517679) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 2-N,2-N,2-trimethyl-1-(2-phenylcyclopropyl)butane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N,2-trimethyl-1-(2-phenylcyclopropyl)butane-1,2-diamine
PubChem CID116517679
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name2-N,2-N,2-trimethyl-1-(2-phenylcyclopropyl)butane-1,2-diamine
SMILESCCC(C)(C(N)C1CC1c1ccccc1)N(C)C
InChIInChI=1S/C16H26N2/c1-5-16(2,18(3)4)15(17)14-11-13(14)12-9-7-6-8-10-12/h6-10,13-15H,5,11,17H2,1-4H3
InChIKeyLPBOIRPOKIAATF-UHFFFAOYSA-N
XLogP2.85
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-N,2-N,2-trimethyl-1-(2-phenylcyclopropyl)butane-1,2-diamine with MolForge

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

Launch Full Analysis

Related Compounds

1-(2-phenylcyclopropyl)propan-1-amine
CID 116517334
1-[(1R,2S)-2-phenylcyclopropyl]ethanamine
CID 57373127
3-methyl-1-(2-phenylcyclopropyl)butan-1-amine
CID 116517331
[(1S,2R)-2-butan-2-ylcyclopropyl]benzene
CID 100977404
4-methoxy-4-methyl-1-(2-phenylcyclopropyl)pentan-1-amine
CID 103031750
3-methyl-1-(2-phenylcyclopropyl)hexan-1-amine
CID 115845595
3-(2-phenylcyclopropyl)butan-1-amine
CID 116518610
[2-ethoxy-1-(2-phenylcyclopropyl)ethyl]hydrazine
CID 105235457
2-ethoxy-N-ethyl-2-methyl-1-(2-phenylcyclopropyl)butan-1-amine
CID 116759060
1-[amino-(2-phenylcyclopropyl)methyl]-N,N,4-trimethylcyclohexan-1-amine
CID 116517701
(1-methoxycycloheptyl)-(2-phenylcyclopropyl)methanamine
CID 116769823
2-ethoxy-2-phenyl-1-(2-phenylcyclopropyl)ethanamine
CID 116773370

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,2-trimethyl-1-(2-phenylcyclopropyl)butane-1,2-diamine?
The IUPAC name of 2-N,2-N,2-trimethyl-1-(2-phenylcyclopropyl)butane-1,2-diamine (CID 116517679) is 2-N,2-N,2-trimethyl-1-(2-phenylcyclopropyl)butane-1,2-diamine.
What is the SMILES notation for 2-N,2-N,2-trimethyl-1-(2-phenylcyclopropyl)butane-1,2-diamine?
The canonical SMILES for 2-N,2-N,2-trimethyl-1-(2-phenylcyclopropyl)butane-1,2-diamine is CCC(C)(C(N)C1CC1c1ccccc1)N(C)C.
What is the InChIKey of 2-N,2-N,2-trimethyl-1-(2-phenylcyclopropyl)butane-1,2-diamine?
The InChIKey is LPBOIRPOKIAATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-5-16(2,18(3)4)15(17)14-11-13(14)12-9-7-6-8-10-12/h6-10,13-15H,5,11,17H2,1-4H3.
What are the key properties of 2-N,2-N,2-trimethyl-1-(2-phenylcyclopropyl)butane-1,2-diamine?
2-N,2-N,2-trimethyl-1-(2-phenylcyclopropyl)butane-1,2-diamine has a molecular weight of 246.40 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,2-trimethyl-1-(2-phenylcyclopropyl)butane-1,2-diamine is sourced from PubChem (CID 116517679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).