N-[(E)-heptan-2-ylideneamino]methanamine

C8H18N2 — CID 21452344

IUPACN-[(E)-heptan-2-ylideneamino]methanamine
SMILESCCCCC/C(C)=N/NC
InChIInChI=1S/C8H18N2/c1-4-5-6-7-8(2)10-9-3/h9H,4-7H2,1-3H3/b10-8+
InChIKeyDFODLCMFLJFZAT-CSKARUKUSA-N
MW142.25 g/mol
LogP2.16
Rot. Bonds5

About N-[(E)-heptan-2-ylideneamino]methanamine

N-[(E)-heptan-2-ylideneamino]methanamine (PubChem CID 21452344) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is N-[(E)-heptan-2-ylideneamino]methanamine.

Molecular Properties

Compound NameN-[(E)-heptan-2-ylideneamino]methanamine
PubChem CID21452344
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC NameN-[(E)-heptan-2-ylideneamino]methanamine
SMILESCCCCC/C(C)=N/NC
InChIInChI=1S/C8H18N2/c1-4-5-6-7-8(2)10-9-3/h9H,4-7H2,1-3H3/b10-8+
InChIKeyDFODLCMFLJFZAT-CSKARUKUSA-N
XLogP2.16
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 52.16
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(pentan-3-ylideneamino)methanamine
CID 14415619
Cyclohexanonmethylhydrazon
CID 15619304
N-[(Z)-pentan-2-ylideneamino]methanamine
CID 135052633
Di-n-propyl ketone n-propylhydrazone
CID 144789
N-[(Z)-1,1,1-trifluoroheptan-2-ylideneamino]methanamine
CID 126546756
N-(cycloheptylideneamino)methanamine
CID 12674853
Heptanal methyl hydrazone
CID 73845633
2-Pentanone, methylhydrazone
CID 6713401
N-[(E)-octan-2-ylideneamino]methanamine
CID 14025343
N-[(E)-pentan-2-ylideneamino]methanamine
CID 14415618
N-(heptan-4-ylideneamino)methanamine
CID 15012722
N-[(E)-hexan-2-ylideneamino]propan-2-amine
CID 19887762

Frequently Asked Questions

What is the IUPAC name of N-[(E)-heptan-2-ylideneamino]methanamine?
The IUPAC name of N-[(E)-heptan-2-ylideneamino]methanamine (CID 21452344) is N-[(E)-heptan-2-ylideneamino]methanamine.
What is the SMILES notation for N-[(E)-heptan-2-ylideneamino]methanamine?
The canonical SMILES for N-[(E)-heptan-2-ylideneamino]methanamine is CCCCC/C(C)=N/NC.
What is the InChIKey of N-[(E)-heptan-2-ylideneamino]methanamine?
The InChIKey is DFODLCMFLJFZAT-CSKARUKUSA-N. The full InChI is InChI=1S/C8H18N2/c1-4-5-6-7-8(2)10-9-3/h9H,4-7H2,1-3H3/b10-8+.
What are the key properties of N-[(E)-heptan-2-ylideneamino]methanamine?
N-[(E)-heptan-2-ylideneamino]methanamine has a molecular weight of 142.25 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-heptan-2-ylideneamino]methanamine is sourced from PubChem (CID 21452344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).