(4S)-1,4-dimethyl-5-propylazepane

C11H23N — CID 145369444

IUPAC(4S)-1,4-dimethyl-5-propylazepane
SMILESCCCC1CCN(C)CC[C@@H]1C
InChIInChI=1S/C11H23N/c1-4-5-11-7-9-12(3)8-6-10(11)2/h10-11H,4-9H2,1-3H3/t10-,11?/m0/s1
InChIKeyDIODTWJFZCJTHD-VUWPPUDQSA-N
MW169.31 g/mol
LogP2.76
Rot. Bonds2

About (4S)-1,4-dimethyl-5-propylazepane

(4S)-1,4-dimethyl-5-propylazepane (PubChem CID 145369444) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is (4S)-1,4-dimethyl-5-propylazepane.

Molecular Properties

Compound Name(4S)-1,4-dimethyl-5-propylazepane
PubChem CID145369444
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name(4S)-1,4-dimethyl-5-propylazepane
SMILESCCCC1CCN(C)CC[C@@H]1C
InChIInChI=1S/C11H23N/c1-4-5-11-7-9-12(3)8-6-10(11)2/h10-11H,4-9H2,1-3H3/t10-,11?/m0/s1
InChIKeyDIODTWJFZCJTHD-VUWPPUDQSA-N
XLogP2.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (4S)-1,4-dimethyl-5-propylazepane 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-methyl-5-propylazepan-4-yl)methanamine
CID 84769502
(1,5-dimethylazepan-4-yl)methanamine
CID 84763759
3-butyl-1,4-dimethylpiperidine
CID 145095542
(4R)-1,4,5-trimethylazepane
CID 89169089
ethane;1-ethyl-4-methyl-3-propylpiperidine
CID 144739856
(1-methyl-3-propylpiperidin-4-yl)methanamine
CID 84765836
3-(methoxymethyl)-1,4-dimethylpiperidine
CID 170079512
5-ethyl-1-methylazepane-4-carboxylic acid
CID 84769802
1-[(1,4-dimethylpiperidin-3-yl)methyl]-4-methylpiperazine
CID 126739578
1,3,4-trimethyl-5-propylpiperidine
CID 166940604
2-methyl-1,3-dipropylcyclopentane
CID 90887551
ethane;1-methyl-2-propylcyclopropane
CID 144710386

Frequently Asked Questions

What is the IUPAC name of (4S)-1,4-dimethyl-5-propylazepane?
The IUPAC name of (4S)-1,4-dimethyl-5-propylazepane (CID 145369444) is (4S)-1,4-dimethyl-5-propylazepane.
What is the SMILES notation for (4S)-1,4-dimethyl-5-propylazepane?
The canonical SMILES for (4S)-1,4-dimethyl-5-propylazepane is CCCC1CCN(C)CC[C@@H]1C.
What is the InChIKey of (4S)-1,4-dimethyl-5-propylazepane?
The InChIKey is DIODTWJFZCJTHD-VUWPPUDQSA-N. The full InChI is InChI=1S/C11H23N/c1-4-5-11-7-9-12(3)8-6-10(11)2/h10-11H,4-9H2,1-3H3/t10-,11?/m0/s1.
What are the key properties of (4S)-1,4-dimethyl-5-propylazepane?
(4S)-1,4-dimethyl-5-propylazepane has a molecular weight of 169.31 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1,4-dimethyl-5-propylazepane is sourced from PubChem (CID 145369444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).