N-methyl-4-(methyliminomethyl)hexan-3-amine

C9H20N2 — CID 134172139

IUPACN-methyl-4-(methyliminomethyl)hexan-3-amine
SMILESCCC(/C=N/C)C(CC)NC
InChIInChI=1S/C9H20N2/c1-5-8(7-10-3)9(6-2)11-4/h7-9,11H,5-6H2,1-4H3/b10-7+
InChIKeyHSYVVYURELFVQW-JXMROGBWSA-N
MW156.27 g/mol
LogP1.71
Rot. Bonds5

About N-methyl-4-(methyliminomethyl)hexan-3-amine

N-methyl-4-(methyliminomethyl)hexan-3-amine (PubChem CID 134172139) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is N-methyl-4-(methyliminomethyl)hexan-3-amine.

Molecular Properties

Compound NameN-methyl-4-(methyliminomethyl)hexan-3-amine
PubChem CID134172139
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC NameN-methyl-4-(methyliminomethyl)hexan-3-amine
SMILESCCC(/C=N/C)C(CC)NC
InChIInChI=1S/C9H20N2/c1-5-8(7-10-3)9(6-2)11-4/h7-9,11H,5-6H2,1-4H3/b10-7+
InChIKeyHSYVVYURELFVQW-JXMROGBWSA-N
XLogP1.71
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-3-(methyliminomethyl)pentan-1-amine
CID 143556278
4-ethyl-N-methylhexan-3-amine
CID 79307570
N,4-dimethylhexan-3-amine
CID 63559808
(E)-5-methyl-3-(methylamino)oct-6-en-4-ol
CID 59728821
ethane;4-(methylamino)hexan-3-ol
CID 142067249
(E)-3-N-methylhept-5-ene-3,4-diamine
CID 163690513
N,4-dimethyl-2-propan-2-ylpentan-1-imine
CID 146382529
1-N'-iodo-1-N-methyl-2-methyliminoethane-1,1-diamine
CID 139316959
N-methyl-2-pentylsulfanylpentan-3-amine
CID 107763027
2-ethyl-N-methylpent-4-en-1-imine
CID 123486283
N,4,8-trimethylnonan-3-amine
CID 83158813
(Z)-4-ethyl-N-methyl-5-methylideneoct-6-en-3-amine
CID 170144451

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(methyliminomethyl)hexan-3-amine?
The IUPAC name of N-methyl-4-(methyliminomethyl)hexan-3-amine (CID 134172139) is N-methyl-4-(methyliminomethyl)hexan-3-amine.
What is the SMILES notation for N-methyl-4-(methyliminomethyl)hexan-3-amine?
The canonical SMILES for N-methyl-4-(methyliminomethyl)hexan-3-amine is CCC(/C=N/C)C(CC)NC.
What is the InChIKey of N-methyl-4-(methyliminomethyl)hexan-3-amine?
The InChIKey is HSYVVYURELFVQW-JXMROGBWSA-N. The full InChI is InChI=1S/C9H20N2/c1-5-8(7-10-3)9(6-2)11-4/h7-9,11H,5-6H2,1-4H3/b10-7+.
What are the key properties of N-methyl-4-(methyliminomethyl)hexan-3-amine?
N-methyl-4-(methyliminomethyl)hexan-3-amine has a molecular weight of 156.27 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(methyliminomethyl)hexan-3-amine is sourced from PubChem (CID 134172139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).