N,N,N',4-tetramethyl-2-propan-2-ylhex-1-ene-1,6-diamine

C13H28N2 — CID 123797265

IUPACN,N,N',4-tetramethyl-2-propan-2-ylhex-1-ene-1,6-diamine
SMILESCNCCC(C)CC(=CN(C)C)C(C)C
InChIInChI=1S/C13H28N2/c1-11(2)13(10-15(5)6)9-12(3)7-8-14-4/h10-12,14H,7-9H2,1-6H3
InChIKeyKYYZNEVFMPRSJL-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.72
Rot. Bonds7

About N,N,N',4-tetramethyl-2-propan-2-ylhex-1-ene-1,6-diamine

N,N,N',4-tetramethyl-2-propan-2-ylhex-1-ene-1,6-diamine (PubChem CID 123797265) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is N,N,N',4-tetramethyl-2-propan-2-ylhex-1-ene-1,6-diamine.

Molecular Properties

Compound NameN,N,N',4-tetramethyl-2-propan-2-ylhex-1-ene-1,6-diamine
PubChem CID123797265
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC NameN,N,N',4-tetramethyl-2-propan-2-ylhex-1-ene-1,6-diamine
SMILESCNCCC(C)CC(=CN(C)C)C(C)C
InChIInChI=1S/C13H28N2/c1-11(2)13(10-15(5)6)9-12(3)7-8-14-4/h10-12,14H,7-9H2,1-6H3
InChIKeyKYYZNEVFMPRSJL-UHFFFAOYSA-N
XLogP2.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N,N',4-tetramethyl-2-propan-2-ylhex-1-ene-1,6-diamine?
The IUPAC name of N,N,N',4-tetramethyl-2-propan-2-ylhex-1-ene-1,6-diamine (CID 123797265) is N,N,N',4-tetramethyl-2-propan-2-ylhex-1-ene-1,6-diamine.
What is the SMILES notation for N,N,N',4-tetramethyl-2-propan-2-ylhex-1-ene-1,6-diamine?
The canonical SMILES for N,N,N',4-tetramethyl-2-propan-2-ylhex-1-ene-1,6-diamine is CNCCC(C)CC(=CN(C)C)C(C)C.
What is the InChIKey of N,N,N',4-tetramethyl-2-propan-2-ylhex-1-ene-1,6-diamine?
The InChIKey is KYYZNEVFMPRSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-11(2)13(10-15(5)6)9-12(3)7-8-14-4/h10-12,14H,7-9H2,1-6H3.
What are the key properties of N,N,N',4-tetramethyl-2-propan-2-ylhex-1-ene-1,6-diamine?
N,N,N',4-tetramethyl-2-propan-2-ylhex-1-ene-1,6-diamine has a molecular weight of 212.38 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N',4-tetramethyl-2-propan-2-ylhex-1-ene-1,6-diamine is sourced from PubChem (CID 123797265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).