N-[[(E)-hex-2-en-2-yl]amino]-N-(methylamino)methanamine

C8H19N3 — CID 167104498

IUPACN-[[(E)-hex-2-en-2-yl]amino]-N-(methylamino)methanamine
SMILESCCC/C=C(\C)NN(C)NC
InChIInChI=1S/C8H19N3/c1-5-6-7-8(2)10-11(4)9-3/h7,9-10H,5-6H2,1-4H3/b8-7+
InChIKeyPSCCLVXVGULWMN-BQYQJAHWSA-N
MW157.26 g/mol
LogP1.26
Rot. Bonds5

About N-[[(E)-hex-2-en-2-yl]amino]-N-(methylamino)methanamine

N-[[(E)-hex-2-en-2-yl]amino]-N-(methylamino)methanamine (PubChem CID 167104498) has the molecular formula C8H19N3 and a molecular weight of 157.26 g/mol. Its IUPAC name is N-[[(E)-hex-2-en-2-yl]amino]-N-(methylamino)methanamine.

Molecular Properties

Compound NameN-[[(E)-hex-2-en-2-yl]amino]-N-(methylamino)methanamine
PubChem CID167104498
Molecular FormulaC8H19N3
Molecular Weight157.26 g/mol
Exact Mass157.16
IUPAC NameN-[[(E)-hex-2-en-2-yl]amino]-N-(methylamino)methanamine
SMILESCCC/C=C(\C)NN(C)NC
InChIInChI=1S/C8H19N3/c1-5-6-7-8(2)10-11(4)9-3/h7,9-10H,5-6H2,1-4H3/b8-7+
InChIKeyPSCCLVXVGULWMN-BQYQJAHWSA-N
XLogP1.26
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[(E)-hex-2-en-2-yl]amino]-N-(methylamino)methanamine?
The IUPAC name of N-[[(E)-hex-2-en-2-yl]amino]-N-(methylamino)methanamine (CID 167104498) is N-[[(E)-hex-2-en-2-yl]amino]-N-(methylamino)methanamine.
What is the SMILES notation for N-[[(E)-hex-2-en-2-yl]amino]-N-(methylamino)methanamine?
The canonical SMILES for N-[[(E)-hex-2-en-2-yl]amino]-N-(methylamino)methanamine is CCC/C=C(\C)NN(C)NC.
What is the InChIKey of N-[[(E)-hex-2-en-2-yl]amino]-N-(methylamino)methanamine?
The InChIKey is PSCCLVXVGULWMN-BQYQJAHWSA-N. The full InChI is InChI=1S/C8H19N3/c1-5-6-7-8(2)10-11(4)9-3/h7,9-10H,5-6H2,1-4H3/b8-7+.
What are the key properties of N-[[(E)-hex-2-en-2-yl]amino]-N-(methylamino)methanamine?
N-[[(E)-hex-2-en-2-yl]amino]-N-(methylamino)methanamine has a molecular weight of 157.26 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(E)-hex-2-en-2-yl]amino]-N-(methylamino)methanamine is sourced from PubChem (CID 167104498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).