3-(3-methylbut-3-en-2-ylideneamino)propan-1-amine

C8H16N2 — CID 90911123

IUPAC3-(3-methylbut-3-en-2-ylideneamino)propan-1-amine
SMILESC=C(C)/C(C)=N/CCCN
InChIInChI=1S/C8H16N2/c1-7(2)8(3)10-6-4-5-9/h1,4-6,9H2,2-3H3/b10-8+
InChIKeyOGKYOOHHGGYPDZ-CSKARUKUSA-N
MW140.23 g/mol
LogP1.37
Rot. Bonds4

About 3-(3-methylbut-3-en-2-ylideneamino)propan-1-amine

3-(3-methylbut-3-en-2-ylideneamino)propan-1-amine (PubChem CID 90911123) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 3-(3-methylbut-3-en-2-ylideneamino)propan-1-amine.

Molecular Properties

Compound Name3-(3-methylbut-3-en-2-ylideneamino)propan-1-amine
PubChem CID90911123
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name3-(3-methylbut-3-en-2-ylideneamino)propan-1-amine
SMILESC=C(C)/C(C)=N/CCCN
InChIInChI=1S/C8H16N2/c1-7(2)8(3)10-6-4-5-9/h1,4-6,9H2,2-3H3/b10-8+
InChIKeyOGKYOOHHGGYPDZ-CSKARUKUSA-N
XLogP1.37
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.37
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylbut-3-en-2-ylideneamino)propan-1-amine?
The IUPAC name of 3-(3-methylbut-3-en-2-ylideneamino)propan-1-amine (CID 90911123) is 3-(3-methylbut-3-en-2-ylideneamino)propan-1-amine.
What is the SMILES notation for 3-(3-methylbut-3-en-2-ylideneamino)propan-1-amine?
The canonical SMILES for 3-(3-methylbut-3-en-2-ylideneamino)propan-1-amine is C=C(C)/C(C)=N/CCCN.
What is the InChIKey of 3-(3-methylbut-3-en-2-ylideneamino)propan-1-amine?
The InChIKey is OGKYOOHHGGYPDZ-CSKARUKUSA-N. The full InChI is InChI=1S/C8H16N2/c1-7(2)8(3)10-6-4-5-9/h1,4-6,9H2,2-3H3/b10-8+.
What are the key properties of 3-(3-methylbut-3-en-2-ylideneamino)propan-1-amine?
3-(3-methylbut-3-en-2-ylideneamino)propan-1-amine has a molecular weight of 140.23 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylbut-3-en-2-ylideneamino)propan-1-amine is sourced from PubChem (CID 90911123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).