4-methyl-N-[(methylideneamino)methyl]heptan-1-amine

C10H22N2 — CID 155275199

IUPAC4-methyl-N-[(methylideneamino)methyl]heptan-1-amine
SMILESC=NCNCCCC(C)CCC
InChIInChI=1S/C10H22N2/c1-4-6-10(2)7-5-8-12-9-11-3/h10,12H,3-9H2,1-2H3
InChIKeyNSWWYBIMWVMBMH-UHFFFAOYSA-N
MW170.30 g/mol
LogP2.45
Rot. Bonds8

About 4-methyl-N-[(methylideneamino)methyl]heptan-1-amine

4-methyl-N-[(methylideneamino)methyl]heptan-1-amine (PubChem CID 155275199) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is 4-methyl-N-[(methylideneamino)methyl]heptan-1-amine.

Molecular Properties

Compound Name4-methyl-N-[(methylideneamino)methyl]heptan-1-amine
PubChem CID155275199
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Name4-methyl-N-[(methylideneamino)methyl]heptan-1-amine
SMILESC=NCNCCCC(C)CCC
InChIInChI=1S/C10H22N2/c1-4-6-10(2)7-5-8-12-9-11-3/h10,12H,3-9H2,1-2H3
InChIKeyNSWWYBIMWVMBMH-UHFFFAOYSA-N
XLogP2.45
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methylheptane
CID 91413347
4-methylheptane
CID 11512
(4R)-1-bromo-4-methylheptane
CID 101151528
N-(2,2-dimethylpropyl)-6-methylnonan-1-amine
CID 166678399
4-methylheptane;pentane
CID 142501546
2-(4-methylnonylamino)ethanethiol
CID 166797249
N,12-dimethylpentadecan-1-amine
CID 174486923
N-butyl-N'-(4-methylhexyl)ethane-1,2-diamine
CID 138527062
5-methyl-N-propylnonan-1-amine
CID 123719528
N-[(3R)-3-methylhexyl]nitrous amide
CID 88966498
4-methylheptane;propane
CID 142171269
4-methyltritriacontane
CID 71346224

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(methylideneamino)methyl]heptan-1-amine?
The IUPAC name of 4-methyl-N-[(methylideneamino)methyl]heptan-1-amine (CID 155275199) is 4-methyl-N-[(methylideneamino)methyl]heptan-1-amine.
What is the SMILES notation for 4-methyl-N-[(methylideneamino)methyl]heptan-1-amine?
The canonical SMILES for 4-methyl-N-[(methylideneamino)methyl]heptan-1-amine is C=NCNCCCC(C)CCC.
What is the InChIKey of 4-methyl-N-[(methylideneamino)methyl]heptan-1-amine?
The InChIKey is NSWWYBIMWVMBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c1-4-6-10(2)7-5-8-12-9-11-3/h10,12H,3-9H2,1-2H3.
What are the key properties of 4-methyl-N-[(methylideneamino)methyl]heptan-1-amine?
4-methyl-N-[(methylideneamino)methyl]heptan-1-amine has a molecular weight of 170.30 g/mol, XLogP of 2.45, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(methylideneamino)methyl]heptan-1-amine is sourced from PubChem (CID 155275199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).