4-(pentylideneamino)but-3-en-1-amine

C9H18N2 — CID 123473715

IUPAC4-(pentylideneamino)but-3-en-1-amine
SMILESCCCC/C=N/C=CCCN
InChIInChI=1S/C9H18N2/c1-2-3-5-8-11-9-6-4-7-10/h6,8-9H,2-5,7,10H2,1H3/b9-6?,11-8+
InChIKeyDPXBPINMPMOQSY-GWVBEGLUSA-N
MW154.26 g/mol
LogP2.11
Rot. Bonds6

About 4-(pentylideneamino)but-3-en-1-amine

4-(pentylideneamino)but-3-en-1-amine (PubChem CID 123473715) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 4-(pentylideneamino)but-3-en-1-amine.

Molecular Properties

Compound Name4-(pentylideneamino)but-3-en-1-amine
PubChem CID123473715
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name4-(pentylideneamino)but-3-en-1-amine
SMILESCCCC/C=N/C=CCCN
InChIInChI=1S/C9H18N2/c1-2-3-5-8-11-9-6-4-7-10/h6,8-9H,2-5,7,10H2,1H3/b9-6?,11-8+
InChIKeyDPXBPINMPMOQSY-GWVBEGLUSA-N
XLogP2.11
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 52.11
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 4-(pentylideneamino)but-3-en-1-amine?
The IUPAC name of 4-(pentylideneamino)but-3-en-1-amine (CID 123473715) is 4-(pentylideneamino)but-3-en-1-amine.
What is the SMILES notation for 4-(pentylideneamino)but-3-en-1-amine?
The canonical SMILES for 4-(pentylideneamino)but-3-en-1-amine is CCCC/C=N/C=CCCN.
What is the InChIKey of 4-(pentylideneamino)but-3-en-1-amine?
The InChIKey is DPXBPINMPMOQSY-GWVBEGLUSA-N. The full InChI is InChI=1S/C9H18N2/c1-2-3-5-8-11-9-6-4-7-10/h6,8-9H,2-5,7,10H2,1H3/b9-6?,11-8+.
What are the key properties of 4-(pentylideneamino)but-3-en-1-amine?
4-(pentylideneamino)but-3-en-1-amine has a molecular weight of 154.26 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pentylideneamino)but-3-en-1-amine is sourced from PubChem (CID 123473715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).