4-(2-azaspiro[3.3]heptan-2-yl)-N-propylcyclohexan-1-amine

C15H28N2 — CID 79687378

IUPAC4-(2-azaspiro[3.3]heptan-2-yl)-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(N2CC3(CCC3)C2)CC1
InChIInChI=1S/C15H28N2/c1-2-10-16-13-4-6-14(7-5-13)17-11-15(12-17)8-3-9-15/h13-14,16H,2-12H2,1H3
InChIKeyIGWHHHNXMXFBOQ-UHFFFAOYSA-N
MW236.40 g/mol
LogP2.78
Rot. Bonds4

About 4-(2-azaspiro[3.3]heptan-2-yl)-N-propylcyclohexan-1-amine

4-(2-azaspiro[3.3]heptan-2-yl)-N-propylcyclohexan-1-amine (PubChem CID 79687378) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is 4-(2-azaspiro[3.3]heptan-2-yl)-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name4-(2-azaspiro[3.3]heptan-2-yl)-N-propylcyclohexan-1-amine
PubChem CID79687378
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name4-(2-azaspiro[3.3]heptan-2-yl)-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(N2CC3(CCC3)C2)CC1
InChIInChI=1S/C15H28N2/c1-2-10-16-13-4-6-14(7-5-13)17-11-15(12-17)8-3-9-15/h13-14,16H,2-12H2,1H3
InChIKeyIGWHHHNXMXFBOQ-UHFFFAOYSA-N
XLogP2.78
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4,4-diethylpiperidin-1-yl)-N-propylcyclohexan-1-amine
CID 114763283
4-(3-methoxy-3-methylpiperidin-1-yl)-N-propylcyclohexan-1-amine
CID 107396577
4-(3-methylazetidin-1-yl)-N-propylcyclohexan-1-amine
CID 79687379
4-(4-propan-2-ylazepan-1-yl)-N-propylcyclohexan-1-amine
CID 114763375
4-(4-ethylazepan-1-yl)-N-propylcyclohexan-1-amine
CID 114763370
4-[4-(methoxymethyl)piperidin-1-yl]-N-propylcyclohexan-1-amine
CID 114763353
4-(2-azaspiro[3.3]heptan-2-yl)cyclohexan-1-ol
CID 104549132
1-[4-(propylamino)cyclohexyl]piperidine-2,6-dione
CID 43653820
4-(2-methylazetidin-1-yl)-N-propylcyclohexan-1-amine
CID 79686955
azane;N-propylcyclohexanamine
CID 19368218
N-propylcyclohexanamine;hydrochloride
CID 17370003
4-N-cyclohexyl-1-N-propylcyclohexane-1,4-diamine
CID 82934190

Frequently Asked Questions

What is the IUPAC name of 4-(2-azaspiro[3.3]heptan-2-yl)-N-propylcyclohexan-1-amine?
The IUPAC name of 4-(2-azaspiro[3.3]heptan-2-yl)-N-propylcyclohexan-1-amine (CID 79687378) is 4-(2-azaspiro[3.3]heptan-2-yl)-N-propylcyclohexan-1-amine.
What is the SMILES notation for 4-(2-azaspiro[3.3]heptan-2-yl)-N-propylcyclohexan-1-amine?
The canonical SMILES for 4-(2-azaspiro[3.3]heptan-2-yl)-N-propylcyclohexan-1-amine is CCCNC1CCC(N2CC3(CCC3)C2)CC1.
What is the InChIKey of 4-(2-azaspiro[3.3]heptan-2-yl)-N-propylcyclohexan-1-amine?
The InChIKey is IGWHHHNXMXFBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2/c1-2-10-16-13-4-6-14(7-5-13)17-11-15(12-17)8-3-9-15/h13-14,16H,2-12H2,1H3.
What are the key properties of 4-(2-azaspiro[3.3]heptan-2-yl)-N-propylcyclohexan-1-amine?
4-(2-azaspiro[3.3]heptan-2-yl)-N-propylcyclohexan-1-amine has a molecular weight of 236.40 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-azaspiro[3.3]heptan-2-yl)-N-propylcyclohexan-1-amine is sourced from PubChem (CID 79687378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).