N-butan-2-yl-4-[2-[4-(butan-2-ylamino)cyclohexyl]propan-2-yl]cyclohexan-1-amine

C23H46N2 — CID 68804199

IUPACN-butan-2-yl-4-[2-[4-(butan-2-ylamino)cyclohexyl]propan-2-yl]cyclohexan-1-amine
SMILESCCC(C)NC1CCC(C(C)(C)C2CCC(NC(C)CC)CC2)CC1
InChIInChI=1S/C23H46N2/c1-7-17(3)24-21-13-9-19(10-14-21)23(5,6)20-11-15-22(16-12-20)25-18(4)8-2/h17-22,24-25H,7-16H2,1-6H3
InChIKeyLUNGSIYNOYXOFS-UHFFFAOYSA-N
MW350.64 g/mol
LogP5.91
Rot. Bonds8

About N-butan-2-yl-4-[2-[4-(butan-2-ylamino)cyclohexyl]propan-2-yl]cyclohexan-1-amine

N-butan-2-yl-4-[2-[4-(butan-2-ylamino)cyclohexyl]propan-2-yl]cyclohexan-1-amine (PubChem CID 68804199) has the molecular formula C23H46N2 and a molecular weight of 350.64 g/mol. Its IUPAC name is N-butan-2-yl-4-[2-[4-(butan-2-ylamino)cyclohexyl]propan-2-yl]cyclohexan-1-amine.

Molecular Properties

Compound NameN-butan-2-yl-4-[2-[4-(butan-2-ylamino)cyclohexyl]propan-2-yl]cyclohexan-1-amine
PubChem CID68804199
Molecular FormulaC23H46N2
Molecular Weight350.64 g/mol
Exact Mass350.37
IUPAC NameN-butan-2-yl-4-[2-[4-(butan-2-ylamino)cyclohexyl]propan-2-yl]cyclohexan-1-amine
SMILESCCC(C)NC1CCC(C(C)(C)C2CCC(NC(C)CC)CC2)CC1
InChIInChI=1S/C23H46N2/c1-7-17(3)24-21-13-9-19(10-14-21)23(5,6)20-11-15-22(16-12-20)25-18(4)8-2/h17-22,24-25H,7-16H2,1-6H3
InChIKeyLUNGSIYNOYXOFS-UHFFFAOYSA-N
XLogP5.91
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.64
LogP ≤ 55.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-[2-[4-(butan-2-ylamino)cyclohexyl]propan-2-yl]cyclohexan-1-amine?
The IUPAC name of N-butan-2-yl-4-[2-[4-(butan-2-ylamino)cyclohexyl]propan-2-yl]cyclohexan-1-amine (CID 68804199) is N-butan-2-yl-4-[2-[4-(butan-2-ylamino)cyclohexyl]propan-2-yl]cyclohexan-1-amine.
What is the SMILES notation for N-butan-2-yl-4-[2-[4-(butan-2-ylamino)cyclohexyl]propan-2-yl]cyclohexan-1-amine?
The canonical SMILES for N-butan-2-yl-4-[2-[4-(butan-2-ylamino)cyclohexyl]propan-2-yl]cyclohexan-1-amine is CCC(C)NC1CCC(C(C)(C)C2CCC(NC(C)CC)CC2)CC1.
What is the InChIKey of N-butan-2-yl-4-[2-[4-(butan-2-ylamino)cyclohexyl]propan-2-yl]cyclohexan-1-amine?
The InChIKey is LUNGSIYNOYXOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46N2/c1-7-17(3)24-21-13-9-19(10-14-21)23(5,6)20-11-15-22(16-12-20)25-18(4)8-2/h17-22,24-25H,7-16H2,1-6H3.
What are the key properties of N-butan-2-yl-4-[2-[4-(butan-2-ylamino)cyclohexyl]propan-2-yl]cyclohexan-1-amine?
N-butan-2-yl-4-[2-[4-(butan-2-ylamino)cyclohexyl]propan-2-yl]cyclohexan-1-amine has a molecular weight of 350.64 g/mol, XLogP of 5.91, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-[2-[4-(butan-2-ylamino)cyclohexyl]propan-2-yl]cyclohexan-1-amine is sourced from PubChem (CID 68804199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).