2-[(methylideneamino)methyl]hept-1-en-3-amine

C9H18N2 — CID 145423014

IUPAC2-[(methylideneamino)methyl]hept-1-en-3-amine
SMILESC=NCC(=C)C(N)CCCC
InChIInChI=1S/C9H18N2/c1-4-5-6-9(10)8(2)7-11-3/h9H,2-7,10H2,1H3
InChIKeyIEYAMIHTPFPLSW-UHFFFAOYSA-N
MW154.26 g/mol
LogP1.76
Rot. Bonds6

About 2-[(methylideneamino)methyl]hept-1-en-3-amine

2-[(methylideneamino)methyl]hept-1-en-3-amine (PubChem CID 145423014) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 2-[(methylideneamino)methyl]hept-1-en-3-amine.

Molecular Properties

Compound Name2-[(methylideneamino)methyl]hept-1-en-3-amine
PubChem CID145423014
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name2-[(methylideneamino)methyl]hept-1-en-3-amine
SMILESC=NCC(=C)C(N)CCCC
InChIInChI=1S/C9H18N2/c1-4-5-6-9(10)8(2)7-11-3/h9H,2-7,10H2,1H3
InChIKeyIEYAMIHTPFPLSW-UHFFFAOYSA-N
XLogP1.76
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methylocta-1,2-dien-4-amine
CID 55285036
(2S)-2-aminohexanoic acid;dihydrochloride
CID 142770522
ethyl 2-aminohexanoate;hydrochloride
CID 18387178
methyl (2S)-2-aminohexanoate
CID 7018840
(2S)-2-aminohexanoic acid;(2R)-2-aminopentanoic acid
CID 158530553
lithium 2-aminohexanoate
CID 162134290
2-amino-N-(2-bromoprop-2-enyl)hexanamide
CID 115753303
(2R)-2-amino-N,N-dimethylhexanamide
CID 87696829
4-amino-2-methyloctan-3-one;methanamine
CID 167521180
(4R)-4-methyl-3-methylideneoctane
CID 10820618
(2S)-2-amino-N-methylhexanamide;hydrochloride
CID 141190381
icosane-5,10,16-triamine
CID 88870264

Frequently Asked Questions

What is the IUPAC name of 2-[(methylideneamino)methyl]hept-1-en-3-amine?
The IUPAC name of 2-[(methylideneamino)methyl]hept-1-en-3-amine (CID 145423014) is 2-[(methylideneamino)methyl]hept-1-en-3-amine.
What is the SMILES notation for 2-[(methylideneamino)methyl]hept-1-en-3-amine?
The canonical SMILES for 2-[(methylideneamino)methyl]hept-1-en-3-amine is C=NCC(=C)C(N)CCCC.
What is the InChIKey of 2-[(methylideneamino)methyl]hept-1-en-3-amine?
The InChIKey is IEYAMIHTPFPLSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-4-5-6-9(10)8(2)7-11-3/h9H,2-7,10H2,1H3.
What are the key properties of 2-[(methylideneamino)methyl]hept-1-en-3-amine?
2-[(methylideneamino)methyl]hept-1-en-3-amine has a molecular weight of 154.26 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(methylideneamino)methyl]hept-1-en-3-amine is sourced from PubChem (CID 145423014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).