N-amino-N-(oct-7-en-3-ylamino)methanamine

C9H21N3 — CID 146488157

IUPACN-amino-N-(oct-7-en-3-ylamino)methanamine
SMILESC=CCCCC(CC)NN(C)N
InChIInChI=1S/C9H21N3/c1-4-6-7-8-9(5-2)11-12(3)10/h4,9,11H,1,5-8,10H2,2-3H3
InChIKeyPXRHCGCIKPLZLK-UHFFFAOYSA-N
MW171.29 g/mol
LogP1.43
Rot. Bonds7

About N-amino-N-(oct-7-en-3-ylamino)methanamine

N-amino-N-(oct-7-en-3-ylamino)methanamine (PubChem CID 146488157) has the molecular formula C9H21N3 and a molecular weight of 171.29 g/mol. Its IUPAC name is N-amino-N-(oct-7-en-3-ylamino)methanamine.

Molecular Properties

Compound NameN-amino-N-(oct-7-en-3-ylamino)methanamine
PubChem CID146488157
Molecular FormulaC9H21N3
Molecular Weight171.29 g/mol
Exact Mass171.17
IUPAC NameN-amino-N-(oct-7-en-3-ylamino)methanamine
SMILESC=CCCCC(CC)NN(C)N
InChIInChI=1S/C9H21N3/c1-4-6-7-8-9(5-2)11-12(3)10/h4,9,11H,1,5-8,10H2,2-3H3
InChIKeyPXRHCGCIKPLZLK-UHFFFAOYSA-N
XLogP1.43
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.29
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-amino-N-(oct-7-en-3-ylamino)methanamine?
The IUPAC name of N-amino-N-(oct-7-en-3-ylamino)methanamine (CID 146488157) is N-amino-N-(oct-7-en-3-ylamino)methanamine.
What is the SMILES notation for N-amino-N-(oct-7-en-3-ylamino)methanamine?
The canonical SMILES for N-amino-N-(oct-7-en-3-ylamino)methanamine is C=CCCCC(CC)NN(C)N.
What is the InChIKey of N-amino-N-(oct-7-en-3-ylamino)methanamine?
The InChIKey is PXRHCGCIKPLZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3/c1-4-6-7-8-9(5-2)11-12(3)10/h4,9,11H,1,5-8,10H2,2-3H3.
What are the key properties of N-amino-N-(oct-7-en-3-ylamino)methanamine?
N-amino-N-(oct-7-en-3-ylamino)methanamine has a molecular weight of 171.29 g/mol, XLogP of 1.43, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N-(oct-7-en-3-ylamino)methanamine is sourced from PubChem (CID 146488157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).