N-propan-2-yl-3-[3-[3-[2-(propan-2-ylamino)ethyl]cyclohexyl]piperidin-1-yl]propan-1-amine

C22H45N3 — CID 175631173

IUPACN-propan-2-yl-3-[3-[3-[2-(propan-2-ylamino)ethyl]cyclohexyl]piperidin-1-yl]propan-1-amine
SMILESCC(C)NCCCN1CCCC(C2CCCC(CCNC(C)C)C2)C1
InChIInChI=1S/C22H45N3/c1-18(2)23-12-7-15-25-14-6-10-22(17-25)21-9-5-8-20(16-21)11-13-24-19(3)4/h18-24H,5-17H2,1-4H3
InChIKeyAJFKNRHDSIDQMZ-UHFFFAOYSA-N
MW351.62 g/mol
LogP4.28
Rot. Bonds10

About N-propan-2-yl-3-[3-[3-[2-(propan-2-ylamino)ethyl]cyclohexyl]piperidin-1-yl]propan-1-amine

N-propan-2-yl-3-[3-[3-[2-(propan-2-ylamino)ethyl]cyclohexyl]piperidin-1-yl]propan-1-amine (PubChem CID 175631173) has the molecular formula C22H45N3 and a molecular weight of 351.62 g/mol. Its IUPAC name is N-propan-2-yl-3-[3-[3-[2-(propan-2-ylamino)ethyl]cyclohexyl]piperidin-1-yl]propan-1-amine.

Molecular Properties

Compound NameN-propan-2-yl-3-[3-[3-[2-(propan-2-ylamino)ethyl]cyclohexyl]piperidin-1-yl]propan-1-amine
PubChem CID175631173
Molecular FormulaC22H45N3
Molecular Weight351.62 g/mol
Exact Mass351.36
IUPAC NameN-propan-2-yl-3-[3-[3-[2-(propan-2-ylamino)ethyl]cyclohexyl]piperidin-1-yl]propan-1-amine
SMILESCC(C)NCCCN1CCCC(C2CCCC(CCNC(C)C)C2)C1
InChIInChI=1S/C22H45N3/c1-18(2)23-12-7-15-25-14-6-10-22(17-25)21-9-5-8-20(16-21)11-13-24-19(3)4/h18-24H,5-17H2,1-4H3
InChIKeyAJFKNRHDSIDQMZ-UHFFFAOYSA-N
XLogP4.28
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.62
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-3-[3-[3-[2-(propan-2-ylamino)ethyl]cyclohexyl]piperidin-1-yl]propan-1-amine?
The IUPAC name of N-propan-2-yl-3-[3-[3-[2-(propan-2-ylamino)ethyl]cyclohexyl]piperidin-1-yl]propan-1-amine (CID 175631173) is N-propan-2-yl-3-[3-[3-[2-(propan-2-ylamino)ethyl]cyclohexyl]piperidin-1-yl]propan-1-amine.
What is the SMILES notation for N-propan-2-yl-3-[3-[3-[2-(propan-2-ylamino)ethyl]cyclohexyl]piperidin-1-yl]propan-1-amine?
The canonical SMILES for N-propan-2-yl-3-[3-[3-[2-(propan-2-ylamino)ethyl]cyclohexyl]piperidin-1-yl]propan-1-amine is CC(C)NCCCN1CCCC(C2CCCC(CCNC(C)C)C2)C1.
What is the InChIKey of N-propan-2-yl-3-[3-[3-[2-(propan-2-ylamino)ethyl]cyclohexyl]piperidin-1-yl]propan-1-amine?
The InChIKey is AJFKNRHDSIDQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H45N3/c1-18(2)23-12-7-15-25-14-6-10-22(17-25)21-9-5-8-20(16-21)11-13-24-19(3)4/h18-24H,5-17H2,1-4H3.
What are the key properties of N-propan-2-yl-3-[3-[3-[2-(propan-2-ylamino)ethyl]cyclohexyl]piperidin-1-yl]propan-1-amine?
N-propan-2-yl-3-[3-[3-[2-(propan-2-ylamino)ethyl]cyclohexyl]piperidin-1-yl]propan-1-amine has a molecular weight of 351.62 g/mol, XLogP of 4.28, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-3-[3-[3-[2-(propan-2-ylamino)ethyl]cyclohexyl]piperidin-1-yl]propan-1-amine is sourced from PubChem (CID 175631173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).