3-[3-(3-aminopropyl)-3-(1,2,2,3-tetramethylcyclohexyl)cyclohexyl]propan-1-amine

C22H44N2 — CID 174728023

IUPAC3-[3-(3-aminopropyl)-3-(1,2,2,3-tetramethylcyclohexyl)cyclohexyl]propan-1-amine
SMILESCC1CCCC(C)(C2(CCCN)CCCC(CCCN)C2)C1(C)C
InChIInChI=1S/C22H44N2/c1-18-9-5-12-21(4,20(18,2)3)22(14-8-16-24)13-6-10-19(17-22)11-7-15-23/h18-19H,5-17,23-24H2,1-4H3
InChIKeyIMMMFGQIGJLZDR-UHFFFAOYSA-N
MW336.61 g/mol
LogP5.49
Rot. Bonds7

About 3-[3-(3-aminopropyl)-3-(1,2,2,3-tetramethylcyclohexyl)cyclohexyl]propan-1-amine

3-[3-(3-aminopropyl)-3-(1,2,2,3-tetramethylcyclohexyl)cyclohexyl]propan-1-amine (PubChem CID 174728023) has the molecular formula C22H44N2 and a molecular weight of 336.61 g/mol. Its IUPAC name is 3-[3-(3-aminopropyl)-3-(1,2,2,3-tetramethylcyclohexyl)cyclohexyl]propan-1-amine.

Molecular Properties

Compound Name3-[3-(3-aminopropyl)-3-(1,2,2,3-tetramethylcyclohexyl)cyclohexyl]propan-1-amine
PubChem CID174728023
Molecular FormulaC22H44N2
Molecular Weight336.61 g/mol
Exact Mass336.35
IUPAC Name3-[3-(3-aminopropyl)-3-(1,2,2,3-tetramethylcyclohexyl)cyclohexyl]propan-1-amine
SMILESCC1CCCC(C)(C2(CCCN)CCCC(CCCN)C2)C1(C)C
InChIInChI=1S/C22H44N2/c1-18-9-5-12-21(4,20(18,2)3)22(14-8-16-24)13-6-10-19(17-22)11-7-15-23/h18-19H,5-17,23-24H2,1-4H3
InChIKeyIMMMFGQIGJLZDR-UHFFFAOYSA-N
XLogP5.49
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.61
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-aminopropyl)-3-(1,2,2,3-tetramethylcyclohexyl)cyclohexyl]propan-1-amine?
The IUPAC name of 3-[3-(3-aminopropyl)-3-(1,2,2,3-tetramethylcyclohexyl)cyclohexyl]propan-1-amine (CID 174728023) is 3-[3-(3-aminopropyl)-3-(1,2,2,3-tetramethylcyclohexyl)cyclohexyl]propan-1-amine.
What is the SMILES notation for 3-[3-(3-aminopropyl)-3-(1,2,2,3-tetramethylcyclohexyl)cyclohexyl]propan-1-amine?
The canonical SMILES for 3-[3-(3-aminopropyl)-3-(1,2,2,3-tetramethylcyclohexyl)cyclohexyl]propan-1-amine is CC1CCCC(C)(C2(CCCN)CCCC(CCCN)C2)C1(C)C.
What is the InChIKey of 3-[3-(3-aminopropyl)-3-(1,2,2,3-tetramethylcyclohexyl)cyclohexyl]propan-1-amine?
The InChIKey is IMMMFGQIGJLZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44N2/c1-18-9-5-12-21(4,20(18,2)3)22(14-8-16-24)13-6-10-19(17-22)11-7-15-23/h18-19H,5-17,23-24H2,1-4H3.
What are the key properties of 3-[3-(3-aminopropyl)-3-(1,2,2,3-tetramethylcyclohexyl)cyclohexyl]propan-1-amine?
3-[3-(3-aminopropyl)-3-(1,2,2,3-tetramethylcyclohexyl)cyclohexyl]propan-1-amine has a molecular weight of 336.61 g/mol, XLogP of 5.49, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-aminopropyl)-3-(1,2,2,3-tetramethylcyclohexyl)cyclohexyl]propan-1-amine is sourced from PubChem (CID 174728023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).