2,5,5-trimethyl-1-N,3-N-di(propan-2-yl)cyclohexane-1,3-diamine

C15H32N2 — CID 18780189

IUPAC2,5,5-trimethyl-1-N,3-N-di(propan-2-yl)cyclohexane-1,3-diamine
SMILESCC(C)NC1CC(C)(C)CC(NC(C)C)C1C
InChIInChI=1S/C15H32N2/c1-10(2)16-13-8-15(6,7)9-14(12(13)5)17-11(3)4/h10-14,16-17H,8-9H2,1-7H3
InChIKeyVNFXJYNFSAGWAV-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.18
Rot. Bonds4

About 2,5,5-trimethyl-1-N,3-N-di(propan-2-yl)cyclohexane-1,3-diamine

2,5,5-trimethyl-1-N,3-N-di(propan-2-yl)cyclohexane-1,3-diamine (PubChem CID 18780189) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is 2,5,5-trimethyl-1-N,3-N-di(propan-2-yl)cyclohexane-1,3-diamine.

Molecular Properties

Compound Name2,5,5-trimethyl-1-N,3-N-di(propan-2-yl)cyclohexane-1,3-diamine
PubChem CID18780189
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC Name2,5,5-trimethyl-1-N,3-N-di(propan-2-yl)cyclohexane-1,3-diamine
SMILESCC(C)NC1CC(C)(C)CC(NC(C)C)C1C
InChIInChI=1S/C15H32N2/c1-10(2)16-13-8-15(6,7)9-14(12(13)5)17-11(3)4/h10-14,16-17H,8-9H2,1-7H3
InChIKeyVNFXJYNFSAGWAV-UHFFFAOYSA-N
XLogP3.18
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5,5-trimethyl-1-N,3-N-di(propan-2-yl)cyclohexane-1,3-diamine?
The IUPAC name of 2,5,5-trimethyl-1-N,3-N-di(propan-2-yl)cyclohexane-1,3-diamine (CID 18780189) is 2,5,5-trimethyl-1-N,3-N-di(propan-2-yl)cyclohexane-1,3-diamine.
What is the SMILES notation for 2,5,5-trimethyl-1-N,3-N-di(propan-2-yl)cyclohexane-1,3-diamine?
The canonical SMILES for 2,5,5-trimethyl-1-N,3-N-di(propan-2-yl)cyclohexane-1,3-diamine is CC(C)NC1CC(C)(C)CC(NC(C)C)C1C.
What is the InChIKey of 2,5,5-trimethyl-1-N,3-N-di(propan-2-yl)cyclohexane-1,3-diamine?
The InChIKey is VNFXJYNFSAGWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-10(2)16-13-8-15(6,7)9-14(12(13)5)17-11(3)4/h10-14,16-17H,8-9H2,1-7H3.
What are the key properties of 2,5,5-trimethyl-1-N,3-N-di(propan-2-yl)cyclohexane-1,3-diamine?
2,5,5-trimethyl-1-N,3-N-di(propan-2-yl)cyclohexane-1,3-diamine has a molecular weight of 240.43 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,5-trimethyl-1-N,3-N-di(propan-2-yl)cyclohexane-1,3-diamine is sourced from PubChem (CID 18780189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).