N-methyl-N'-(3-methyloct-4-en-2-yl)methanediamine

C11H24N2 — CID 123318977

IUPACN-methyl-N'-(3-methyloct-4-en-2-yl)methanediamine
SMILESCCCC=CC(C)C(C)NCNC
InChIInChI=1S/C11H24N2/c1-5-6-7-8-10(2)11(3)13-9-12-4/h7-8,10-13H,5-6,9H2,1-4H3
InChIKeyNFJNXWTUCABOIQ-UHFFFAOYSA-N
MW184.33 g/mol
LogP2.13
Rot. Bonds7

About N-methyl-N'-(3-methyloct-4-en-2-yl)methanediamine

N-methyl-N'-(3-methyloct-4-en-2-yl)methanediamine (PubChem CID 123318977) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is N-methyl-N'-(3-methyloct-4-en-2-yl)methanediamine.

Molecular Properties

Compound NameN-methyl-N'-(3-methyloct-4-en-2-yl)methanediamine
PubChem CID123318977
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC NameN-methyl-N'-(3-methyloct-4-en-2-yl)methanediamine
SMILESCCCC=CC(C)C(C)NCNC
InChIInChI=1S/C11H24N2/c1-5-6-7-8-10(2)11(3)13-9-12-4/h7-8,10-13H,5-6,9H2,1-4H3
InChIKeyNFJNXWTUCABOIQ-UHFFFAOYSA-N
XLogP2.13
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,1-Diethylamino-3,8-nonadiene
CID 129810738
1,1-Dimethylamino-3,8-nonadiene
CID 129810741
N,2-dimethyloct-5-en-3-amine
CID 170847794
N,2-dimethylundeca-5,10-dien-3-amine
CID 53789697
(2E)-N-butan-2-yl-4-ethylhexa-2,5-dien-1-amine
CID 87172186
N'-[[[(Z)-6,7-dimethyloct-4-en-3-yl]amino]methyl]methanediamine
CID 88939552
(E)-N-(3-methylbutan-2-yl)pent-3-en-1-amine
CID 115890230
N'-[(Z)-hex-2-enyl]-N-methylmethanediamine
CID 121420092
N-butyl-N'-hex-2-enylmethanediamine
CID 123196716
N,4,8-trimethyl-1,2,5,8-tetrahydroazocin-2-amine
CID 123269053
7-methyl-N-propan-2-yloct-4-en-1-amine
CID 123468037
1-N'-[(hex-3-enylamino)methyl]ethane-1,1-diamine
CID 123541630

Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-(3-methyloct-4-en-2-yl)methanediamine?
The IUPAC name of N-methyl-N'-(3-methyloct-4-en-2-yl)methanediamine (CID 123318977) is N-methyl-N'-(3-methyloct-4-en-2-yl)methanediamine.
What is the SMILES notation for N-methyl-N'-(3-methyloct-4-en-2-yl)methanediamine?
The canonical SMILES for N-methyl-N'-(3-methyloct-4-en-2-yl)methanediamine is CCCC=CC(C)C(C)NCNC.
What is the InChIKey of N-methyl-N'-(3-methyloct-4-en-2-yl)methanediamine?
The InChIKey is NFJNXWTUCABOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2/c1-5-6-7-8-10(2)11(3)13-9-12-4/h7-8,10-13H,5-6,9H2,1-4H3.
What are the key properties of N-methyl-N'-(3-methyloct-4-en-2-yl)methanediamine?
N-methyl-N'-(3-methyloct-4-en-2-yl)methanediamine has a molecular weight of 184.33 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-(3-methyloct-4-en-2-yl)methanediamine is sourced from PubChem (CID 123318977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).