N,N,4-trimethyl-N',2-di(propan-2-yl)hex-2-ene-1,6-diamine

C15H32N2 — CID 123930251

IUPACN,N,4-trimethyl-N',2-di(propan-2-yl)hex-2-ene-1,6-diamine
SMILESCC(C=C(CN(C)C)C(C)C)CCNC(C)C
InChIInChI=1S/C15H32N2/c1-12(2)15(11-17(6)7)10-14(5)8-9-16-13(3)4/h10,12-14,16H,8-9,11H2,1-7H3
InChIKeyJYHLWBVTLDVUHZ-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.15
Rot. Bonds8

About N,N,4-trimethyl-N',2-di(propan-2-yl)hex-2-ene-1,6-diamine

N,N,4-trimethyl-N',2-di(propan-2-yl)hex-2-ene-1,6-diamine (PubChem CID 123930251) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is N,N,4-trimethyl-N',2-di(propan-2-yl)hex-2-ene-1,6-diamine.

Molecular Properties

Compound NameN,N,4-trimethyl-N',2-di(propan-2-yl)hex-2-ene-1,6-diamine
PubChem CID123930251
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC NameN,N,4-trimethyl-N',2-di(propan-2-yl)hex-2-ene-1,6-diamine
SMILESCC(C=C(CN(C)C)C(C)C)CCNC(C)C
InChIInChI=1S/C15H32N2/c1-12(2)15(11-17(6)7)10-14(5)8-9-16-13(3)4/h10,12-14,16H,8-9,11H2,1-7H3
InChIKeyJYHLWBVTLDVUHZ-UHFFFAOYSA-N
XLogP3.15
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-N',2-di(propan-2-yl)hex-2-ene-1,6-diamine?
The IUPAC name of N,N,4-trimethyl-N',2-di(propan-2-yl)hex-2-ene-1,6-diamine (CID 123930251) is N,N,4-trimethyl-N',2-di(propan-2-yl)hex-2-ene-1,6-diamine.
What is the SMILES notation for N,N,4-trimethyl-N',2-di(propan-2-yl)hex-2-ene-1,6-diamine?
The canonical SMILES for N,N,4-trimethyl-N',2-di(propan-2-yl)hex-2-ene-1,6-diamine is CC(C=C(CN(C)C)C(C)C)CCNC(C)C.
What is the InChIKey of N,N,4-trimethyl-N',2-di(propan-2-yl)hex-2-ene-1,6-diamine?
The InChIKey is JYHLWBVTLDVUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-12(2)15(11-17(6)7)10-14(5)8-9-16-13(3)4/h10,12-14,16H,8-9,11H2,1-7H3.
What are the key properties of N,N,4-trimethyl-N',2-di(propan-2-yl)hex-2-ene-1,6-diamine?
N,N,4-trimethyl-N',2-di(propan-2-yl)hex-2-ene-1,6-diamine has a molecular weight of 240.43 g/mol, XLogP of 3.15, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-N',2-di(propan-2-yl)hex-2-ene-1,6-diamine is sourced from PubChem (CID 123930251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).