trans-(1R,2S)-2-[(1Z,3E)-5-amino-4-methylpenta-1,3-dienyl]-3-methylcyclobutan-1-amine

C11H20N2 — CID 89057964

IUPACtrans-(1R,2S)-2-[(1Z,3E)-5-amino-4-methylpenta-1,3-dienyl]-3-methylcyclobutan-1-amine
SMILESC/C(=C\C=C/[C@@H]1C(C)C[C@H]1N)CN
InChIInChI=1S/C11H20N2/c1-8(7-12)4-3-5-10-9(2)6-11(10)13/h3-5,9-11H,6-7,12-13H2,1-2H3/b5-3-,8-4+/t9?,10-,11-/m1/s1
InChIKeyDURWEZRRHWAGQO-UBNUOKAZSA-N
MW180.29 g/mol
LogP1.43
Rot. Bonds3

About trans-(1R,2S)-2-[(1Z,3E)-5-amino-4-methylpenta-1,3-dienyl]-3-methylcyclobutan-1-amine

trans-(1R,2S)-2-[(1Z,3E)-5-amino-4-methylpenta-1,3-dienyl]-3-methylcyclobutan-1-amine (PubChem CID 89057964) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is trans-(1R,2S)-2-[(1Z,3E)-5-amino-4-methylpenta-1,3-dienyl]-3-methylcyclobutan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2S)-2-[(1Z,3E)-5-amino-4-methylpenta-1,3-dienyl]-3-methylcyclobutan-1-amine
PubChem CID89057964
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Nametrans-(1R,2S)-2-[(1Z,3E)-5-amino-4-methylpenta-1,3-dienyl]-3-methylcyclobutan-1-amine
SMILESC/C(=C\C=C/[C@@H]1C(C)C[C@H]1N)CN
InChIInChI=1S/C11H20N2/c1-8(7-12)4-3-5-10-9(2)6-11(10)13/h3-5,9-11H,6-7,12-13H2,1-2H3/b5-3-,8-4+/t9?,10-,11-/m1/s1
InChIKeyDURWEZRRHWAGQO-UBNUOKAZSA-N
XLogP1.43
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-2-[(1Z,3E)-5-amino-4-methylpenta-1,3-dienyl]-3-methylcyclobutan-1-amine?
The IUPAC name of trans-(1R,2S)-2-[(1Z,3E)-5-amino-4-methylpenta-1,3-dienyl]-3-methylcyclobutan-1-amine (CID 89057964) is trans-(1R,2S)-2-[(1Z,3E)-5-amino-4-methylpenta-1,3-dienyl]-3-methylcyclobutan-1-amine.
What is the SMILES notation for trans-(1R,2S)-2-[(1Z,3E)-5-amino-4-methylpenta-1,3-dienyl]-3-methylcyclobutan-1-amine?
The canonical SMILES for trans-(1R,2S)-2-[(1Z,3E)-5-amino-4-methylpenta-1,3-dienyl]-3-methylcyclobutan-1-amine is C/C(=C\C=C/[C@@H]1C(C)C[C@H]1N)CN.
What is the InChIKey of trans-(1R,2S)-2-[(1Z,3E)-5-amino-4-methylpenta-1,3-dienyl]-3-methylcyclobutan-1-amine?
The InChIKey is DURWEZRRHWAGQO-UBNUOKAZSA-N. The full InChI is InChI=1S/C11H20N2/c1-8(7-12)4-3-5-10-9(2)6-11(10)13/h3-5,9-11H,6-7,12-13H2,1-2H3/b5-3-,8-4+/t9?,10-,11-/m1/s1.
What are the key properties of trans-(1R,2S)-2-[(1Z,3E)-5-amino-4-methylpenta-1,3-dienyl]-3-methylcyclobutan-1-amine?
trans-(1R,2S)-2-[(1Z,3E)-5-amino-4-methylpenta-1,3-dienyl]-3-methylcyclobutan-1-amine has a molecular weight of 180.29 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-2-[(1Z,3E)-5-amino-4-methylpenta-1,3-dienyl]-3-methylcyclobutan-1-amine is sourced from PubChem (CID 89057964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).