2,2-dimethyl-1-phenyl-4-(3-propyl-1H-indol-2-yl)cyclohexan-1-amine

C25H32N2 — CID 68844897

IUPAC2,2-dimethyl-1-phenyl-4-(3-propyl-1H-indol-2-yl)cyclohexan-1-amine
SMILESCCCc1c(C2CCC(N)(c3ccccc3)C(C)(C)C2)[nH]c2ccccc12
InChIInChI=1S/C25H32N2/c1-4-10-21-20-13-8-9-14-22(20)27-23(21)18-15-16-25(26,24(2,3)17-18)19-11-6-5-7-12-19/h5-9,11-14,18,27H,4,10,15-17,26H2,1-3H3
InChIKeyBWCBFFJAOSFKBL-UHFFFAOYSA-N
MW360.55 g/mol
LogP6.27
Rot. Bonds4

About 2,2-dimethyl-1-phenyl-4-(3-propyl-1H-indol-2-yl)cyclohexan-1-amine

2,2-dimethyl-1-phenyl-4-(3-propyl-1H-indol-2-yl)cyclohexan-1-amine (PubChem CID 68844897) has the molecular formula C25H32N2 and a molecular weight of 360.55 g/mol. Its IUPAC name is 2,2-dimethyl-1-phenyl-4-(3-propyl-1H-indol-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-1-phenyl-4-(3-propyl-1H-indol-2-yl)cyclohexan-1-amine
PubChem CID68844897
Molecular FormulaC25H32N2
Molecular Weight360.55 g/mol
Exact Mass360.26
IUPAC Name2,2-dimethyl-1-phenyl-4-(3-propyl-1H-indol-2-yl)cyclohexan-1-amine
SMILESCCCc1c(C2CCC(N)(c3ccccc3)C(C)(C)C2)[nH]c2ccccc12
InChIInChI=1S/C25H32N2/c1-4-10-21-20-13-8-9-14-22(20)27-23(21)18-15-16-25(26,24(2,3)17-18)19-11-6-5-7-12-19/h5-9,11-14,18,27H,4,10,15-17,26H2,1-3H3
InChIKeyBWCBFFJAOSFKBL-UHFFFAOYSA-N
XLogP6.27
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.55
LogP ≤ 56.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-phenyl-4-(3-propyl-1H-indol-2-yl)cyclohexan-1-amine?
The IUPAC name of 2,2-dimethyl-1-phenyl-4-(3-propyl-1H-indol-2-yl)cyclohexan-1-amine (CID 68844897) is 2,2-dimethyl-1-phenyl-4-(3-propyl-1H-indol-2-yl)cyclohexan-1-amine.
What is the SMILES notation for 2,2-dimethyl-1-phenyl-4-(3-propyl-1H-indol-2-yl)cyclohexan-1-amine?
The canonical SMILES for 2,2-dimethyl-1-phenyl-4-(3-propyl-1H-indol-2-yl)cyclohexan-1-amine is CCCc1c(C2CCC(N)(c3ccccc3)C(C)(C)C2)[nH]c2ccccc12.
What is the InChIKey of 2,2-dimethyl-1-phenyl-4-(3-propyl-1H-indol-2-yl)cyclohexan-1-amine?
The InChIKey is BWCBFFJAOSFKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2/c1-4-10-21-20-13-8-9-14-22(20)27-23(21)18-15-16-25(26,24(2,3)17-18)19-11-6-5-7-12-19/h5-9,11-14,18,27H,4,10,15-17,26H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-phenyl-4-(3-propyl-1H-indol-2-yl)cyclohexan-1-amine?
2,2-dimethyl-1-phenyl-4-(3-propyl-1H-indol-2-yl)cyclohexan-1-amine has a molecular weight of 360.55 g/mol, XLogP of 6.27, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-phenyl-4-(3-propyl-1H-indol-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 68844897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).