1-N,4-N-di(butan-2-yl)-3,4-dimethylcyclohexa-1,5-diene-1,4-diamine

C16H30N2 — CID 66831566

IUPAC1-N,4-N-di(butan-2-yl)-3,4-dimethylcyclohexa-1,5-diene-1,4-diamine
SMILESCCC(C)NC1=CC(C)C(C)(NC(C)CC)C=C1
InChIInChI=1S/C16H30N2/c1-7-13(4)17-15-9-10-16(6,12(3)11-15)18-14(5)8-2/h9-14,17-18H,7-8H2,1-6H3
InChIKeyAXOIXSCAPAJIAD-UHFFFAOYSA-N
MW250.43 g/mol
LogP3.61
Rot. Bonds6

About 1-N,4-N-di(butan-2-yl)-3,4-dimethylcyclohexa-1,5-diene-1,4-diamine

1-N,4-N-di(butan-2-yl)-3,4-dimethylcyclohexa-1,5-diene-1,4-diamine (PubChem CID 66831566) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 1-N,4-N-di(butan-2-yl)-3,4-dimethylcyclohexa-1,5-diene-1,4-diamine.

Molecular Properties

Compound Name1-N,4-N-di(butan-2-yl)-3,4-dimethylcyclohexa-1,5-diene-1,4-diamine
PubChem CID66831566
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name1-N,4-N-di(butan-2-yl)-3,4-dimethylcyclohexa-1,5-diene-1,4-diamine
SMILESCCC(C)NC1=CC(C)C(C)(NC(C)CC)C=C1
InChIInChI=1S/C16H30N2/c1-7-13(4)17-15-9-10-16(6,12(3)11-15)18-14(5)8-2/h9-14,17-18H,7-8H2,1-6H3
InChIKeyAXOIXSCAPAJIAD-UHFFFAOYSA-N
XLogP3.61
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-di(butan-2-yl)-3,4-dimethylcyclohexa-1,5-diene-1,4-diamine?
The IUPAC name of 1-N,4-N-di(butan-2-yl)-3,4-dimethylcyclohexa-1,5-diene-1,4-diamine (CID 66831566) is 1-N,4-N-di(butan-2-yl)-3,4-dimethylcyclohexa-1,5-diene-1,4-diamine.
What is the SMILES notation for 1-N,4-N-di(butan-2-yl)-3,4-dimethylcyclohexa-1,5-diene-1,4-diamine?
The canonical SMILES for 1-N,4-N-di(butan-2-yl)-3,4-dimethylcyclohexa-1,5-diene-1,4-diamine is CCC(C)NC1=CC(C)C(C)(NC(C)CC)C=C1.
What is the InChIKey of 1-N,4-N-di(butan-2-yl)-3,4-dimethylcyclohexa-1,5-diene-1,4-diamine?
The InChIKey is AXOIXSCAPAJIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-7-13(4)17-15-9-10-16(6,12(3)11-15)18-14(5)8-2/h9-14,17-18H,7-8H2,1-6H3.
What are the key properties of 1-N,4-N-di(butan-2-yl)-3,4-dimethylcyclohexa-1,5-diene-1,4-diamine?
1-N,4-N-di(butan-2-yl)-3,4-dimethylcyclohexa-1,5-diene-1,4-diamine has a molecular weight of 250.43 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-di(butan-2-yl)-3,4-dimethylcyclohexa-1,5-diene-1,4-diamine is sourced from PubChem (CID 66831566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).