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

C21H42N2 — CID 167000939

IUPACN-propan-2-yl-4-[2-[4-(propan-2-ylamino)cyclohexyl]propan-2-yl]cyclohexan-1-amine
SMILESCC(C)NC1CCC(C(C)(C)C2CCC(NC(C)C)CC2)CC1
InChIInChI=1S/C21H42N2/c1-15(2)22-19-11-7-17(8-12-19)21(5,6)18-9-13-20(14-10-18)23-16(3)4/h15-20,22-23H,7-14H2,1-6H3
InChIKeyHTFXTBNLPLNQMD-UHFFFAOYSA-N
MW322.58 g/mol
LogP5.13
Rot. Bonds6

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

N-propan-2-yl-4-[2-[4-(propan-2-ylamino)cyclohexyl]propan-2-yl]cyclohexan-1-amine (PubChem CID 167000939) has the molecular formula C21H42N2 and a molecular weight of 322.58 g/mol. Its IUPAC name is N-propan-2-yl-4-[2-[4-(propan-2-ylamino)cyclohexyl]propan-2-yl]cyclohexan-1-amine.

Molecular Properties

Compound NameN-propan-2-yl-4-[2-[4-(propan-2-ylamino)cyclohexyl]propan-2-yl]cyclohexan-1-amine
PubChem CID167000939
Molecular FormulaC21H42N2
Molecular Weight322.58 g/mol
Exact Mass322.33
IUPAC NameN-propan-2-yl-4-[2-[4-(propan-2-ylamino)cyclohexyl]propan-2-yl]cyclohexan-1-amine
SMILESCC(C)NC1CCC(C(C)(C)C2CCC(NC(C)C)CC2)CC1
InChIInChI=1S/C21H42N2/c1-15(2)22-19-11-7-17(8-12-19)21(5,6)18-9-13-20(14-10-18)23-16(3)4/h15-20,22-23H,7-14H2,1-6H3
InChIKeyHTFXTBNLPLNQMD-UHFFFAOYSA-N
XLogP5.13
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.58
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-4-[2-[4-(propan-2-ylamino)cyclohexyl]propan-2-yl]cyclohexan-1-amine?
The IUPAC name of N-propan-2-yl-4-[2-[4-(propan-2-ylamino)cyclohexyl]propan-2-yl]cyclohexan-1-amine (CID 167000939) is N-propan-2-yl-4-[2-[4-(propan-2-ylamino)cyclohexyl]propan-2-yl]cyclohexan-1-amine.
What is the SMILES notation for N-propan-2-yl-4-[2-[4-(propan-2-ylamino)cyclohexyl]propan-2-yl]cyclohexan-1-amine?
The canonical SMILES for N-propan-2-yl-4-[2-[4-(propan-2-ylamino)cyclohexyl]propan-2-yl]cyclohexan-1-amine is CC(C)NC1CCC(C(C)(C)C2CCC(NC(C)C)CC2)CC1.
What is the InChIKey of N-propan-2-yl-4-[2-[4-(propan-2-ylamino)cyclohexyl]propan-2-yl]cyclohexan-1-amine?
The InChIKey is HTFXTBNLPLNQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42N2/c1-15(2)22-19-11-7-17(8-12-19)21(5,6)18-9-13-20(14-10-18)23-16(3)4/h15-20,22-23H,7-14H2,1-6H3.
What are the key properties of N-propan-2-yl-4-[2-[4-(propan-2-ylamino)cyclohexyl]propan-2-yl]cyclohexan-1-amine?
N-propan-2-yl-4-[2-[4-(propan-2-ylamino)cyclohexyl]propan-2-yl]cyclohexan-1-amine has a molecular weight of 322.58 g/mol, XLogP of 5.13, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-4-[2-[4-(propan-2-ylamino)cyclohexyl]propan-2-yl]cyclohexan-1-amine is sourced from PubChem (CID 167000939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).