N-[3-[2,6-di(propan-2-yl)cyclohexen-1-yl]iminobutan-2-yl]-2,6-di(propan-2-yl)cyclohexan-1-amine

C28H52N2 — CID 91573348

IUPACN-[3-[2,6-di(propan-2-yl)cyclohexen-1-yl]iminobutan-2-yl]-2,6-di(propan-2-yl)cyclohexan-1-amine
SMILESC/C(=N\C1=C(C(C)C)CCCC1C(C)C)C(C)NC1C(C(C)C)CCCC1C(C)C
InChIInChI=1S/C28H52N2/c1-17(2)23-13-11-14-24(18(3)4)27(23)29-21(9)22(10)30-28-25(19(5)6)15-12-16-26(28)20(7)8/h17-21,23-25,27,29H,11-16H2,1-10H3/b30-22+
InChIKeyMAYVFADIMPVZGC-JBASAIQMSA-N
MW416.74 g/mol
LogP7.89
Rot. Bonds8

About N-[3-[2,6-di(propan-2-yl)cyclohexen-1-yl]iminobutan-2-yl]-2,6-di(propan-2-yl)cyclohexan-1-amine

N-[3-[2,6-di(propan-2-yl)cyclohexen-1-yl]iminobutan-2-yl]-2,6-di(propan-2-yl)cyclohexan-1-amine (PubChem CID 91573348) has the molecular formula C28H52N2 and a molecular weight of 416.74 g/mol. Its IUPAC name is N-[3-[2,6-di(propan-2-yl)cyclohexen-1-yl]iminobutan-2-yl]-2,6-di(propan-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[3-[2,6-di(propan-2-yl)cyclohexen-1-yl]iminobutan-2-yl]-2,6-di(propan-2-yl)cyclohexan-1-amine
PubChem CID91573348
Molecular FormulaC28H52N2
Molecular Weight416.74 g/mol
Exact Mass416.41
IUPAC NameN-[3-[2,6-di(propan-2-yl)cyclohexen-1-yl]iminobutan-2-yl]-2,6-di(propan-2-yl)cyclohexan-1-amine
SMILESC/C(=N\C1=C(C(C)C)CCCC1C(C)C)C(C)NC1C(C(C)C)CCCC1C(C)C
InChIInChI=1S/C28H52N2/c1-17(2)23-13-11-14-24(18(3)4)27(23)29-21(9)22(10)30-28-25(19(5)6)15-12-16-26(28)20(7)8/h17-21,23-25,27,29H,11-16H2,1-10H3/b30-22+
InChIKeyMAYVFADIMPVZGC-JBASAIQMSA-N
XLogP7.89
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.74
LogP ≤ 57.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2,6-di(propan-2-yl)cyclohexen-1-yl]iminobutan-2-yl]-2,6-di(propan-2-yl)cyclohexan-1-amine?
The IUPAC name of N-[3-[2,6-di(propan-2-yl)cyclohexen-1-yl]iminobutan-2-yl]-2,6-di(propan-2-yl)cyclohexan-1-amine (CID 91573348) is N-[3-[2,6-di(propan-2-yl)cyclohexen-1-yl]iminobutan-2-yl]-2,6-di(propan-2-yl)cyclohexan-1-amine.
What is the SMILES notation for N-[3-[2,6-di(propan-2-yl)cyclohexen-1-yl]iminobutan-2-yl]-2,6-di(propan-2-yl)cyclohexan-1-amine?
The canonical SMILES for N-[3-[2,6-di(propan-2-yl)cyclohexen-1-yl]iminobutan-2-yl]-2,6-di(propan-2-yl)cyclohexan-1-amine is C/C(=N\C1=C(C(C)C)CCCC1C(C)C)C(C)NC1C(C(C)C)CCCC1C(C)C.
What is the InChIKey of N-[3-[2,6-di(propan-2-yl)cyclohexen-1-yl]iminobutan-2-yl]-2,6-di(propan-2-yl)cyclohexan-1-amine?
The InChIKey is MAYVFADIMPVZGC-JBASAIQMSA-N. The full InChI is InChI=1S/C28H52N2/c1-17(2)23-13-11-14-24(18(3)4)27(23)29-21(9)22(10)30-28-25(19(5)6)15-12-16-26(28)20(7)8/h17-21,23-25,27,29H,11-16H2,1-10H3/b30-22+.
What are the key properties of N-[3-[2,6-di(propan-2-yl)cyclohexen-1-yl]iminobutan-2-yl]-2,6-di(propan-2-yl)cyclohexan-1-amine?
N-[3-[2,6-di(propan-2-yl)cyclohexen-1-yl]iminobutan-2-yl]-2,6-di(propan-2-yl)cyclohexan-1-amine has a molecular weight of 416.74 g/mol, XLogP of 7.89, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2,6-di(propan-2-yl)cyclohexen-1-yl]iminobutan-2-yl]-2,6-di(propan-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 91573348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).