(1S)-1-(2,2-dimethylcyclopropyl)propan-1-amine

C8H17N — CID 107924727

IUPAC(1S)-1-(2,2-dimethylcyclopropyl)propan-1-amine
SMILESCC[C@H](N)C1CC1(C)C
InChIInChI=1S/C8H17N/c1-4-7(9)6-5-8(6,2)3/h6-7H,4-5,9H2,1-3H3/t6?,7-/m0/s1
InChIKeyVMNUGUKELCXBBY-MLWJPKLSSA-N
MW127.23 g/mol
LogP1.77
Rot. Bonds2

About (1S)-1-(2,2-dimethylcyclopropyl)propan-1-amine

(1S)-1-(2,2-dimethylcyclopropyl)propan-1-amine (PubChem CID 107924727) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is (1S)-1-(2,2-dimethylcyclopropyl)propan-1-amine.

Molecular Properties

Compound Name(1S)-1-(2,2-dimethylcyclopropyl)propan-1-amine
PubChem CID107924727
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Name(1S)-1-(2,2-dimethylcyclopropyl)propan-1-amine
SMILESCC[C@H](N)C1CC1(C)C
InChIInChI=1S/C8H17N/c1-4-7(9)6-5-8(6,2)3/h6-7H,4-5,9H2,1-3H3/t6?,7-/m0/s1
InChIKeyVMNUGUKELCXBBY-MLWJPKLSSA-N
XLogP1.77
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1S)-1-(2,2-dimethylcyclopropyl)propan-1-amine 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-(2,2-dimethylcyclopropyl)-2-methoxyethanamine
CID 107004727
3-amino-3-(2,2-dimethylcyclopropyl)propan-1-ol
CID 131123429
(1S)-1-[(1R)-2,2-dimethylcyclopropyl]ethanamine
CID 90067113
2-(4,5-dimethylheptan-3-yl)-1,1-dimethylcyclopropane
CID 90861114
1-(2,2-dimethylcyclopropyl)-2-(1-ethylpyrazol-4-yl)ethanamine
CID 107004225
1-(2,2-dimethylcyclopropyl)-2-(1-ethylimidazol-2-yl)ethanamine
CID 107004731
1-(2,2-dimethylcyclopropyl)-2-(1H-imidazol-2-yl)ethanamine
CID 107000929
[1-(2,2-dimethylcyclopropyl)-4-methylpentyl]hydrazine
CID 107005606
1-(2-ethyl-2-methyloxan-4-yl)propan-1-amine
CID 79307561
[(1S)-2,2-dimethylcyclopropyl]methanediol
CID 70611170
2-(2-chloro-6-fluorophenyl)-1-(2,2-dimethylcyclopropyl)ethanamine
CID 107001824
1-(2,2-dimethylcyclopropyl)-4-methylpentan-1-ol
CID 107005279

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2,2-dimethylcyclopropyl)propan-1-amine?
The IUPAC name of (1S)-1-(2,2-dimethylcyclopropyl)propan-1-amine (CID 107924727) is (1S)-1-(2,2-dimethylcyclopropyl)propan-1-amine.
What is the SMILES notation for (1S)-1-(2,2-dimethylcyclopropyl)propan-1-amine?
The canonical SMILES for (1S)-1-(2,2-dimethylcyclopropyl)propan-1-amine is CC[C@H](N)C1CC1(C)C.
What is the InChIKey of (1S)-1-(2,2-dimethylcyclopropyl)propan-1-amine?
The InChIKey is VMNUGUKELCXBBY-MLWJPKLSSA-N. The full InChI is InChI=1S/C8H17N/c1-4-7(9)6-5-8(6,2)3/h6-7H,4-5,9H2,1-3H3/t6?,7-/m0/s1.
What are the key properties of (1S)-1-(2,2-dimethylcyclopropyl)propan-1-amine?
(1S)-1-(2,2-dimethylcyclopropyl)propan-1-amine has a molecular weight of 127.23 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2,2-dimethylcyclopropyl)propan-1-amine is sourced from PubChem (CID 107924727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).