2-N'-tert-butyl-2-N'-cyclohexyl-2-N,2-N-dipropylpropane-2,2-diamine

C19H40N2 — CID 134402323

IUPAC2-N'-tert-butyl-2-N'-cyclohexyl-2-N,2-N-dipropylpropane-2,2-diamine
SMILESCCCN(CCC)C(C)(C)N(C1CCCCC1)C(C)(C)C
InChIInChI=1S/C19H40N2/c1-8-15-20(16-9-2)19(6,7)21(18(3,4)5)17-13-11-10-12-14-17/h17H,8-16H2,1-7H3
InChIKeyWQHSCPFBPIHBPU-UHFFFAOYSA-N
MW296.54 g/mol
LogP5.28
Rot. Bonds7

About 2-N'-tert-butyl-2-N'-cyclohexyl-2-N,2-N-dipropylpropane-2,2-diamine

2-N'-tert-butyl-2-N'-cyclohexyl-2-N,2-N-dipropylpropane-2,2-diamine (PubChem CID 134402323) has the molecular formula C19H40N2 and a molecular weight of 296.54 g/mol. Its IUPAC name is 2-N'-tert-butyl-2-N'-cyclohexyl-2-N,2-N-dipropylpropane-2,2-diamine.

Molecular Properties

Compound Name2-N'-tert-butyl-2-N'-cyclohexyl-2-N,2-N-dipropylpropane-2,2-diamine
PubChem CID134402323
Molecular FormulaC19H40N2
Molecular Weight296.54 g/mol
Exact Mass296.32
IUPAC Name2-N'-tert-butyl-2-N'-cyclohexyl-2-N,2-N-dipropylpropane-2,2-diamine
SMILESCCCN(CCC)C(C)(C)N(C1CCCCC1)C(C)(C)C
InChIInChI=1S/C19H40N2/c1-8-15-20(16-9-2)19(6,7)21(18(3,4)5)17-13-11-10-12-14-17/h17H,8-16H2,1-7H3
InChIKeyWQHSCPFBPIHBPU-UHFFFAOYSA-N
XLogP5.28
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.54
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N'-tert-butyl-2-N'-cyclohexyl-2-N,2-N-dipropylpropane-2,2-diamine?
The IUPAC name of 2-N'-tert-butyl-2-N'-cyclohexyl-2-N,2-N-dipropylpropane-2,2-diamine (CID 134402323) is 2-N'-tert-butyl-2-N'-cyclohexyl-2-N,2-N-dipropylpropane-2,2-diamine.
What is the SMILES notation for 2-N'-tert-butyl-2-N'-cyclohexyl-2-N,2-N-dipropylpropane-2,2-diamine?
The canonical SMILES for 2-N'-tert-butyl-2-N'-cyclohexyl-2-N,2-N-dipropylpropane-2,2-diamine is CCCN(CCC)C(C)(C)N(C1CCCCC1)C(C)(C)C.
What is the InChIKey of 2-N'-tert-butyl-2-N'-cyclohexyl-2-N,2-N-dipropylpropane-2,2-diamine?
The InChIKey is WQHSCPFBPIHBPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40N2/c1-8-15-20(16-9-2)19(6,7)21(18(3,4)5)17-13-11-10-12-14-17/h17H,8-16H2,1-7H3.
What are the key properties of 2-N'-tert-butyl-2-N'-cyclohexyl-2-N,2-N-dipropylpropane-2,2-diamine?
2-N'-tert-butyl-2-N'-cyclohexyl-2-N,2-N-dipropylpropane-2,2-diamine has a molecular weight of 296.54 g/mol, XLogP of 5.28, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N'-tert-butyl-2-N'-cyclohexyl-2-N,2-N-dipropylpropane-2,2-diamine is sourced from PubChem (CID 134402323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).