azane;N-butan-2-ylbutan-2-amine;N-tert-butylcyclohexanamine;N-tert-butyl-2-methylpropan-2-amine

C26H62N4 — CID 175308011

IUPACazane;N-butan-2-ylbutan-2-amine;N-tert-butylcyclohexanamine;N-tert-butyl-2-methylpropan-2-amine
SMILESCC(C)(C)NC(C)(C)C.CC(C)(C)NC1CCCCC1.CCC(C)NC(C)CC.N
InChIInChI=1S/C10H21N.2C8H19N.H3N/c1-10(2,3)11-9-7-5-4-6-8-9;1-7(2,3)9-8(4,5)6;1-5-7(3)9-8(4)6-2;/h9,11H,4-8H2,1-3H3;9H,1-6H3;7-9H,5-6H2,1-4H3;1H3
InChIKeyYBOXNBDUMGNUNU-UHFFFAOYSA-N
MW430.81 g/mol
LogP7.22
Rot. Bonds5

About azane;N-butan-2-ylbutan-2-amine;N-tert-butylcyclohexanamine;N-tert-butyl-2-methylpropan-2-amine

azane;N-butan-2-ylbutan-2-amine;N-tert-butylcyclohexanamine;N-tert-butyl-2-methylpropan-2-amine (PubChem CID 175308011) has the molecular formula C26H62N4 and a molecular weight of 430.81 g/mol. Its IUPAC name is azane;N-butan-2-ylbutan-2-amine;N-tert-butylcyclohexanamine;N-tert-butyl-2-methylpropan-2-amine.

Molecular Properties

Compound Nameazane;N-butan-2-ylbutan-2-amine;N-tert-butylcyclohexanamine;N-tert-butyl-2-methylpropan-2-amine
PubChem CID175308011
Molecular FormulaC26H62N4
Molecular Weight430.81 g/mol
Exact Mass430.50
IUPAC Nameazane;N-butan-2-ylbutan-2-amine;N-tert-butylcyclohexanamine;N-tert-butyl-2-methylpropan-2-amine
SMILESCC(C)(C)NC(C)(C)C.CC(C)(C)NC1CCCCC1.CCC(C)NC(C)CC.N
InChIInChI=1S/C10H21N.2C8H19N.H3N/c1-10(2,3)11-9-7-5-4-6-8-9;1-7(2,3)9-8(4,5)6;1-5-7(3)9-8(4)6-2;/h9,11H,4-8H2,1-3H3;9H,1-6H3;7-9H,5-6H2,1-4H3;1H3
InChIKeyYBOXNBDUMGNUNU-UHFFFAOYSA-N
XLogP7.22
TPSA71.09 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.81
LogP ≤ 57.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze azane;N-butan-2-ylbutan-2-amine;N-tert-butylcyclohexanamine;N-tert-butyl-2-methylpropan-2-amine with MolForge

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Related Compounds

N-tert-butylcyclobutanamine;N-tert-butylcyclohexanamine;N-tert-butylcyclopentanamine;N-tert-butylcyclopropanamine
CID 158164936
4-N-tert-butyl-1-N-cyclohexylcyclohexane-1,4-diamine
CID 58707395
4-N-tert-butyl-1-N-propan-2-ylcyclohexane-1,4-diamine
CID 58707400
N-(2,3-dimethylbutan-2-yl)cyclohexanamine
CID 89164056
1-N,4-N-ditert-butylcyclohexane-1,4-diamine
CID 59732223
N-(1-chloro-2-methylbutan-2-yl)cyclohexanamine
CID 82937345
N'-butan-2-yl-N-cyclohexylethane-1,2-diamine
CID 44630792
N-tert-butylcyclopropanamine;hydrochloride
CID 55284152
N-tert-butyl-4-[2-(cyclohexylamino)-2-methylpropyl]cycloheptan-1-amine
CID 130444257
2-(cyclohexylamino)-2-ethyl-4-methylhexanenitrile
CID 54894281
1-[[(1R,3S)-3-(tert-butylamino)cyclohexyl]amino]ethanol
CID 139573688
2-N-cycloheptyl-4,4-dimethoxy-2-methylbutane-1,2-diamine
CID 66179237

Frequently Asked Questions

What is the IUPAC name of azane;N-butan-2-ylbutan-2-amine;N-tert-butylcyclohexanamine;N-tert-butyl-2-methylpropan-2-amine?
The IUPAC name of azane;N-butan-2-ylbutan-2-amine;N-tert-butylcyclohexanamine;N-tert-butyl-2-methylpropan-2-amine (CID 175308011) is azane;N-butan-2-ylbutan-2-amine;N-tert-butylcyclohexanamine;N-tert-butyl-2-methylpropan-2-amine.
What is the SMILES notation for azane;N-butan-2-ylbutan-2-amine;N-tert-butylcyclohexanamine;N-tert-butyl-2-methylpropan-2-amine?
The canonical SMILES for azane;N-butan-2-ylbutan-2-amine;N-tert-butylcyclohexanamine;N-tert-butyl-2-methylpropan-2-amine is CC(C)(C)NC(C)(C)C.CC(C)(C)NC1CCCCC1.CCC(C)NC(C)CC.N.
What is the InChIKey of azane;N-butan-2-ylbutan-2-amine;N-tert-butylcyclohexanamine;N-tert-butyl-2-methylpropan-2-amine?
The InChIKey is YBOXNBDUMGNUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N.2C8H19N.H3N/c1-10(2,3)11-9-7-5-4-6-8-9;1-7(2,3)9-8(4,5)6;1-5-7(3)9-8(4)6-2;/h9,11H,4-8H2,1-3H3;9H,1-6H3;7-9H,5-6H2,1-4H3;1H3.
What are the key properties of azane;N-butan-2-ylbutan-2-amine;N-tert-butylcyclohexanamine;N-tert-butyl-2-methylpropan-2-amine?
azane;N-butan-2-ylbutan-2-amine;N-tert-butylcyclohexanamine;N-tert-butyl-2-methylpropan-2-amine has a molecular weight of 430.81 g/mol, XLogP of 7.22, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;N-butan-2-ylbutan-2-amine;N-tert-butylcyclohexanamine;N-tert-butyl-2-methylpropan-2-amine is sourced from PubChem (CID 175308011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).