4-[1-[4-(dimethylamino)cyclohexyl]-2,4-di(piperidin-4-yl)butyl]cyclohexan-1-amine

C28H54N4 — CID 70615624

IUPAC4-[1-[4-(dimethylamino)cyclohexyl]-2,4-di(piperidin-4-yl)butyl]cyclohexan-1-amine
SMILESCN(C)C1CCC(C(C2CCC(N)CC2)C(CCC2CCNCC2)C2CCNCC2)CC1
InChIInChI=1S/C28H54N4/c1-32(2)26-10-6-24(7-11-26)28(23-4-8-25(29)9-5-23)27(22-15-19-31-20-16-22)12-3-21-13-17-30-18-14-21/h21-28,30-31H,3-20,29H2,1-2H3
InChIKeyDGIPSFBJYHHPKH-UHFFFAOYSA-N
MW446.77 g/mol
LogP4.64
Rot. Bonds8

About 4-[1-[4-(dimethylamino)cyclohexyl]-2,4-di(piperidin-4-yl)butyl]cyclohexan-1-amine

4-[1-[4-(dimethylamino)cyclohexyl]-2,4-di(piperidin-4-yl)butyl]cyclohexan-1-amine (PubChem CID 70615624) has the molecular formula C28H54N4 and a molecular weight of 446.77 g/mol. Its IUPAC name is 4-[1-[4-(dimethylamino)cyclohexyl]-2,4-di(piperidin-4-yl)butyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[1-[4-(dimethylamino)cyclohexyl]-2,4-di(piperidin-4-yl)butyl]cyclohexan-1-amine
PubChem CID70615624
Molecular FormulaC28H54N4
Molecular Weight446.77 g/mol
Exact Mass446.43
IUPAC Name4-[1-[4-(dimethylamino)cyclohexyl]-2,4-di(piperidin-4-yl)butyl]cyclohexan-1-amine
SMILESCN(C)C1CCC(C(C2CCC(N)CC2)C(CCC2CCNCC2)C2CCNCC2)CC1
InChIInChI=1S/C28H54N4/c1-32(2)26-10-6-24(7-11-26)28(23-4-8-25(29)9-5-23)27(22-15-19-31-20-16-22)12-3-21-13-17-30-18-14-21/h21-28,30-31H,3-20,29H2,1-2H3
InChIKeyDGIPSFBJYHHPKH-UHFFFAOYSA-N
XLogP4.64
TPSA53.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.77
LogP ≤ 54.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-(dimethylamino)cyclohexyl]-2,4-di(piperidin-4-yl)butyl]cyclohexan-1-amine?
The IUPAC name of 4-[1-[4-(dimethylamino)cyclohexyl]-2,4-di(piperidin-4-yl)butyl]cyclohexan-1-amine (CID 70615624) is 4-[1-[4-(dimethylamino)cyclohexyl]-2,4-di(piperidin-4-yl)butyl]cyclohexan-1-amine.
What is the SMILES notation for 4-[1-[4-(dimethylamino)cyclohexyl]-2,4-di(piperidin-4-yl)butyl]cyclohexan-1-amine?
The canonical SMILES for 4-[1-[4-(dimethylamino)cyclohexyl]-2,4-di(piperidin-4-yl)butyl]cyclohexan-1-amine is CN(C)C1CCC(C(C2CCC(N)CC2)C(CCC2CCNCC2)C2CCNCC2)CC1.
What is the InChIKey of 4-[1-[4-(dimethylamino)cyclohexyl]-2,4-di(piperidin-4-yl)butyl]cyclohexan-1-amine?
The InChIKey is DGIPSFBJYHHPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H54N4/c1-32(2)26-10-6-24(7-11-26)28(23-4-8-25(29)9-5-23)27(22-15-19-31-20-16-22)12-3-21-13-17-30-18-14-21/h21-28,30-31H,3-20,29H2,1-2H3.
What are the key properties of 4-[1-[4-(dimethylamino)cyclohexyl]-2,4-di(piperidin-4-yl)butyl]cyclohexan-1-amine?
4-[1-[4-(dimethylamino)cyclohexyl]-2,4-di(piperidin-4-yl)butyl]cyclohexan-1-amine has a molecular weight of 446.77 g/mol, XLogP of 4.64, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-(dimethylamino)cyclohexyl]-2,4-di(piperidin-4-yl)butyl]cyclohexan-1-amine is sourced from PubChem (CID 70615624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).