3-propylcyclohexane-1,1-diamine

C9H20N2 — CID 141388820

IUPAC3-propylcyclohexane-1,1-diamine
SMILESCCCC1CCCC(N)(N)C1
InChIInChI=1S/C9H20N2/c1-2-4-8-5-3-6-9(10,11)7-8/h8H,2-7,10-11H2,1H3
InChIKeyAYYNZFOJLAFULP-UHFFFAOYSA-N
MW156.27 g/mol
LogP1.59
Rot. Bonds2

About 3-propylcyclohexane-1,1-diamine

3-propylcyclohexane-1,1-diamine (PubChem CID 141388820) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is 3-propylcyclohexane-1,1-diamine.

Molecular Properties

Compound Name3-propylcyclohexane-1,1-diamine
PubChem CID141388820
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name3-propylcyclohexane-1,1-diamine
SMILESCCCC1CCCC(N)(N)C1
InChIInChI=1S/C9H20N2/c1-2-4-8-5-3-6-9(10,11)7-8/h8H,2-7,10-11H2,1H3
InChIKeyAYYNZFOJLAFULP-UHFFFAOYSA-N
XLogP1.59
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

6-propyl-2-azaspiro[3.5]nonane
CID 170593809
1-propan-2-yl-4-propylcycloheptan-1-amine
CID 65086543
1-cyclohexyl-4-propylcycloheptan-1-amine
CID 65086734
hydrazine;propylcyclobutane;hydrochloride
CID 18995287
ethane;(3S)-3-propylspiro[4.4]nonane
CID 177054830
(1R,2R,3R,3'R,4S)-3'-propylspiro[bicyclo[2.2.1]heptane-3,1'-cyclohexane]-2-amine
CID 170439838
(2S,3R,3'R,4S)-3'-propylspiro[bicyclo[2.2.1]heptane-3,1'-cyclohexane]-2-amine
CID 170439916
propylcyclotetradecane
CID 90991550
1,7-dimethyl-7-propan-2-yl-5-propylbicyclo[6.2.0]decane
CID 123925598
2-methyl-7-propylspiro[3.5]nonane
CID 149299427
ethyl 2-[(1S,3R)-1-(nitromethyl)-3-propylcyclohexyl]acetate
CID 10588190
(1-methoxy-4-propylcycloheptyl)methanamine
CID 66073417

Frequently Asked Questions

What is the IUPAC name of 3-propylcyclohexane-1,1-diamine?
The IUPAC name of 3-propylcyclohexane-1,1-diamine (CID 141388820) is 3-propylcyclohexane-1,1-diamine.
What is the SMILES notation for 3-propylcyclohexane-1,1-diamine?
The canonical SMILES for 3-propylcyclohexane-1,1-diamine is CCCC1CCCC(N)(N)C1.
What is the InChIKey of 3-propylcyclohexane-1,1-diamine?
The InChIKey is AYYNZFOJLAFULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2/c1-2-4-8-5-3-6-9(10,11)7-8/h8H,2-7,10-11H2,1H3.
What are the key properties of 3-propylcyclohexane-1,1-diamine?
3-propylcyclohexane-1,1-diamine has a molecular weight of 156.27 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propylcyclohexane-1,1-diamine is sourced from PubChem (CID 141388820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).