N-(heptan-4-ylideneamino)methanamine

C8H18N2 — CID 15012722

IUPACN-(heptan-4-ylideneamino)methanamine
SMILESCCCC(CCC)=NNC
InChIInChI=1S/C8H18N2/c1-4-6-8(7-5-2)10-9-3/h9H,4-7H2,1-3H3
InChIKeyMQDFMDVJENGKFU-UHFFFAOYSA-N
MW142.25 g/mol
LogP2.16
Rot. Bonds5

About N-(heptan-4-ylideneamino)methanamine

N-(heptan-4-ylideneamino)methanamine (PubChem CID 15012722) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is N-(heptan-4-ylideneamino)methanamine.

Molecular Properties

Compound NameN-(heptan-4-ylideneamino)methanamine
PubChem CID15012722
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC NameN-(heptan-4-ylideneamino)methanamine
SMILESCCCC(CCC)=NNC
InChIInChI=1S/C8H18N2/c1-4-6-8(7-5-2)10-9-3/h9H,4-7H2,1-3H3
InChIKeyMQDFMDVJENGKFU-UHFFFAOYSA-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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(heptan-4-ylideneamino)methanamine?
The IUPAC name of N-(heptan-4-ylideneamino)methanamine (CID 15012722) is N-(heptan-4-ylideneamino)methanamine.
What is the SMILES notation for N-(heptan-4-ylideneamino)methanamine?
The canonical SMILES for N-(heptan-4-ylideneamino)methanamine is CCCC(CCC)=NNC.
What is the InChIKey of N-(heptan-4-ylideneamino)methanamine?
The InChIKey is MQDFMDVJENGKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2/c1-4-6-8(7-5-2)10-9-3/h9H,4-7H2,1-3H3.
What are the key properties of N-(heptan-4-ylideneamino)methanamine?
N-(heptan-4-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-(heptan-4-ylideneamino)methanamine is sourced from PubChem (CID 15012722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).