(2S)-2-[(Z)-6-aminohex-4-enyl]cyclopropan-1-amine

C9H18N2 — CID 156542352

IUPAC(2S)-2-[(Z)-6-aminohex-4-enyl]cyclopropan-1-amine
SMILESNC/C=C\CCC[C@H]1CC1N
InChIInChI=1S/C9H18N2/c10-6-4-2-1-3-5-8-7-9(8)11/h2,4,8-9H,1,3,5-7,10-11H2/b4-2-/t8-,9?/m0/s1
InChIKeyNAWQGMCTKADTQT-LIDUYTAHSA-N
MW154.26 g/mol
LogP1.02
Rot. Bonds5

About (2S)-2-[(Z)-6-aminohex-4-enyl]cyclopropan-1-amine

(2S)-2-[(Z)-6-aminohex-4-enyl]cyclopropan-1-amine (PubChem CID 156542352) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is (2S)-2-[(Z)-6-aminohex-4-enyl]cyclopropan-1-amine.

Molecular Properties

Compound Name(2S)-2-[(Z)-6-aminohex-4-enyl]cyclopropan-1-amine
PubChem CID156542352
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name(2S)-2-[(Z)-6-aminohex-4-enyl]cyclopropan-1-amine
SMILESNC/C=C\CCC[C@H]1CC1N
InChIInChI=1S/C9H18N2/c10-6-4-2-1-3-5-8-7-9(8)11/h2,4,8-9H,1,3,5-7,10-11H2/b4-2-/t8-,9?/m0/s1
InChIKeyNAWQGMCTKADTQT-LIDUYTAHSA-N
XLogP1.02
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(Z)-6-aminohex-4-enyl]cyclopropan-1-amine?
The IUPAC name of (2S)-2-[(Z)-6-aminohex-4-enyl]cyclopropan-1-amine (CID 156542352) is (2S)-2-[(Z)-6-aminohex-4-enyl]cyclopropan-1-amine.
What is the SMILES notation for (2S)-2-[(Z)-6-aminohex-4-enyl]cyclopropan-1-amine?
The canonical SMILES for (2S)-2-[(Z)-6-aminohex-4-enyl]cyclopropan-1-amine is NC/C=C\CCC[C@H]1CC1N.
What is the InChIKey of (2S)-2-[(Z)-6-aminohex-4-enyl]cyclopropan-1-amine?
The InChIKey is NAWQGMCTKADTQT-LIDUYTAHSA-N. The full InChI is InChI=1S/C9H18N2/c10-6-4-2-1-3-5-8-7-9(8)11/h2,4,8-9H,1,3,5-7,10-11H2/b4-2-/t8-,9?/m0/s1.
What are the key properties of (2S)-2-[(Z)-6-aminohex-4-enyl]cyclopropan-1-amine?
(2S)-2-[(Z)-6-aminohex-4-enyl]cyclopropan-1-amine has a molecular weight of 154.26 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(Z)-6-aminohex-4-enyl]cyclopropan-1-amine is sourced from PubChem (CID 156542352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).