3-N,3-N-diethyl-3-methyl-6-methylideneoctane-3,4-diamine

C14H30N2 — CID 79069215

IUPAC3-N,3-N-diethyl-3-methyl-6-methylideneoctane-3,4-diamine
SMILESC=C(CC)CC(N)C(C)(CC)N(CC)CC
InChIInChI=1S/C14H30N2/c1-7-12(5)11-13(15)14(6,8-2)16(9-3)10-4/h13H,5,7-11,15H2,1-4,6H3
InChIKeyRSPPNESWOAFCAY-UHFFFAOYSA-N
MW226.41 g/mol
LogP3.18
Rot. Bonds8

About 3-N,3-N-diethyl-3-methyl-6-methylideneoctane-3,4-diamine

3-N,3-N-diethyl-3-methyl-6-methylideneoctane-3,4-diamine (PubChem CID 79069215) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 3-N,3-N-diethyl-3-methyl-6-methylideneoctane-3,4-diamine.

Molecular Properties

Compound Name3-N,3-N-diethyl-3-methyl-6-methylideneoctane-3,4-diamine
PubChem CID79069215
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name3-N,3-N-diethyl-3-methyl-6-methylideneoctane-3,4-diamine
SMILESC=C(CC)CC(N)C(C)(CC)N(CC)CC
InChIInChI=1S/C14H30N2/c1-7-12(5)11-13(15)14(6,8-2)16(9-3)10-4/h13H,5,7-11,15H2,1-4,6H3
InChIKeyRSPPNESWOAFCAY-UHFFFAOYSA-N
XLogP3.18
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 53.18
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 3-N,3-N-diethyl-3-methyl-6-methylideneoctane-3,4-diamine?
The IUPAC name of 3-N,3-N-diethyl-3-methyl-6-methylideneoctane-3,4-diamine (CID 79069215) is 3-N,3-N-diethyl-3-methyl-6-methylideneoctane-3,4-diamine.
What is the SMILES notation for 3-N,3-N-diethyl-3-methyl-6-methylideneoctane-3,4-diamine?
The canonical SMILES for 3-N,3-N-diethyl-3-methyl-6-methylideneoctane-3,4-diamine is C=C(CC)CC(N)C(C)(CC)N(CC)CC.
What is the InChIKey of 3-N,3-N-diethyl-3-methyl-6-methylideneoctane-3,4-diamine?
The InChIKey is RSPPNESWOAFCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-7-12(5)11-13(15)14(6,8-2)16(9-3)10-4/h13H,5,7-11,15H2,1-4,6H3.
What are the key properties of 3-N,3-N-diethyl-3-methyl-6-methylideneoctane-3,4-diamine?
3-N,3-N-diethyl-3-methyl-6-methylideneoctane-3,4-diamine has a molecular weight of 226.41 g/mol, XLogP of 3.18, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N-diethyl-3-methyl-6-methylideneoctane-3,4-diamine is sourced from PubChem (CID 79069215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).