3,3,5-trimethyl-2-N-(2-methylpropyl)hept-1-ene-2,5-diamine

C14H30N2 — CID 155248836

IUPAC3,3,5-trimethyl-2-N-(2-methylpropyl)hept-1-ene-2,5-diamine
SMILESC=C(NCC(C)C)C(C)(C)CC(C)(N)CC
InChIInChI=1S/C14H30N2/c1-8-14(7,15)10-13(5,6)12(4)16-9-11(2)3/h11,16H,4,8-10,15H2,1-3,5-7H3
InChIKeyWIEFRPKRROPWER-UHFFFAOYSA-N
MW226.41 g/mol
LogP3.29
Rot. Bonds7

About 3,3,5-trimethyl-2-N-(2-methylpropyl)hept-1-ene-2,5-diamine

3,3,5-trimethyl-2-N-(2-methylpropyl)hept-1-ene-2,5-diamine (PubChem CID 155248836) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 3,3,5-trimethyl-2-N-(2-methylpropyl)hept-1-ene-2,5-diamine.

Molecular Properties

Compound Name3,3,5-trimethyl-2-N-(2-methylpropyl)hept-1-ene-2,5-diamine
PubChem CID155248836
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name3,3,5-trimethyl-2-N-(2-methylpropyl)hept-1-ene-2,5-diamine
SMILESC=C(NCC(C)C)C(C)(C)CC(C)(N)CC
InChIInChI=1S/C14H30N2/c1-8-14(7,15)10-13(5,6)12(4)16-9-11(2)3/h11,16H,4,8-10,15H2,1-3,5-7H3
InChIKeyWIEFRPKRROPWER-UHFFFAOYSA-N
XLogP3.29
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,5-trimethyl-2-N-(2-methylpropyl)hept-1-ene-2,5-diamine?
The IUPAC name of 3,3,5-trimethyl-2-N-(2-methylpropyl)hept-1-ene-2,5-diamine (CID 155248836) is 3,3,5-trimethyl-2-N-(2-methylpropyl)hept-1-ene-2,5-diamine.
What is the SMILES notation for 3,3,5-trimethyl-2-N-(2-methylpropyl)hept-1-ene-2,5-diamine?
The canonical SMILES for 3,3,5-trimethyl-2-N-(2-methylpropyl)hept-1-ene-2,5-diamine is C=C(NCC(C)C)C(C)(C)CC(C)(N)CC.
What is the InChIKey of 3,3,5-trimethyl-2-N-(2-methylpropyl)hept-1-ene-2,5-diamine?
The InChIKey is WIEFRPKRROPWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-8-14(7,15)10-13(5,6)12(4)16-9-11(2)3/h11,16H,4,8-10,15H2,1-3,5-7H3.
What are the key properties of 3,3,5-trimethyl-2-N-(2-methylpropyl)hept-1-ene-2,5-diamine?
3,3,5-trimethyl-2-N-(2-methylpropyl)hept-1-ene-2,5-diamine has a molecular weight of 226.41 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5-trimethyl-2-N-(2-methylpropyl)hept-1-ene-2,5-diamine is sourced from PubChem (CID 155248836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).