N-methyl-5-(methyliminomethyl)-N-propylhept-1-en-2-amine

C13H26N2 — CID 123731062

IUPACN-methyl-5-(methyliminomethyl)-N-propylhept-1-en-2-amine
SMILESC=C(CCC(/C=N/C)CC)N(C)CCC
InChIInChI=1S/C13H26N2/c1-6-10-15(5)12(3)8-9-13(7-2)11-14-4/h11,13H,3,6-10H2,1-2,4-5H3/b14-11+
InChIKeyNWOQYZBBSONDAY-SDNWHVSQSA-N
MW210.36 g/mol
LogP3.35
Rot. Bonds8

About N-methyl-5-(methyliminomethyl)-N-propylhept-1-en-2-amine

N-methyl-5-(methyliminomethyl)-N-propylhept-1-en-2-amine (PubChem CID 123731062) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is N-methyl-5-(methyliminomethyl)-N-propylhept-1-en-2-amine.

Molecular Properties

Compound NameN-methyl-5-(methyliminomethyl)-N-propylhept-1-en-2-amine
PubChem CID123731062
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC NameN-methyl-5-(methyliminomethyl)-N-propylhept-1-en-2-amine
SMILESC=C(CCC(/C=N/C)CC)N(C)CCC
InChIInChI=1S/C13H26N2/c1-6-10-15(5)12(3)8-9-13(7-2)11-14-4/h11,13H,3,6-10H2,1-2,4-5H3/b14-11+
InChIKeyNWOQYZBBSONDAY-SDNWHVSQSA-N
XLogP3.35
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

6-(5-ethylheptyl)-1-(3-methylbutyl)-2H-pyrazine
CID 123149816
1-(6-methylheptyl)-6-(5-methylhexyl)-2H-pyrazine
CID 123211899
N,N-dimethyl-2-(1,3,7-trimethyl-4,5-dihydro-3H-azepin-1-ium-4-yl)ethanamine
CID 123383668
2-Ethylheptylidene-hex-1-en-2-yl-methylazanium
CID 123416280
N,N,3-triethyl-3,4-dihydropyridin-5-amine
CID 123613286
2-Heptan-3-yl-4,5-dimethyl-5,6-dihydro-1,4-diazepine
CID 123783798
1-(4-methylpentyl)-6-(7-methylundecyl)-2H-pyrazine
CID 123998901
N-[(7-methylidene-3,4,5,6-tetrahydroazepin-4-yl)methyl]propan-2-amine
CID 166686733
N-[2-(3,4-dihydropyridin-4-yl)ethyl]-N-methylpropan-2-amine
CID 168940529
4,8,8-Trimethyl-10-methylidene-5,6,7,9-tetrahydro-1,4-diazecin-4-ium
CID 170379880
3-methyl-N-(3-methyl-1-methyliminobutan-2-yl)hept-1-en-2-amine
CID 142474537
N-(3-ethylhex-1-en-2-yl)propan-1-imine
CID 143763220

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(methyliminomethyl)-N-propylhept-1-en-2-amine?
The IUPAC name of N-methyl-5-(methyliminomethyl)-N-propylhept-1-en-2-amine (CID 123731062) is N-methyl-5-(methyliminomethyl)-N-propylhept-1-en-2-amine.
What is the SMILES notation for N-methyl-5-(methyliminomethyl)-N-propylhept-1-en-2-amine?
The canonical SMILES for N-methyl-5-(methyliminomethyl)-N-propylhept-1-en-2-amine is C=C(CCC(/C=N/C)CC)N(C)CCC.
What is the InChIKey of N-methyl-5-(methyliminomethyl)-N-propylhept-1-en-2-amine?
The InChIKey is NWOQYZBBSONDAY-SDNWHVSQSA-N. The full InChI is InChI=1S/C13H26N2/c1-6-10-15(5)12(3)8-9-13(7-2)11-14-4/h11,13H,3,6-10H2,1-2,4-5H3/b14-11+.
What are the key properties of N-methyl-5-(methyliminomethyl)-N-propylhept-1-en-2-amine?
N-methyl-5-(methyliminomethyl)-N-propylhept-1-en-2-amine has a molecular weight of 210.36 g/mol, XLogP of 3.35, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(methyliminomethyl)-N-propylhept-1-en-2-amine is sourced from PubChem (CID 123731062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).