(2R,3E,5Z)-N-[(Z)-but-2-enyl]-1-imino-3-propan-2-ylhepta-3,5-dien-2-amine

C14H24N2 — CID 174366874

IUPAC(2R,3E,5Z)-N-[(Z)-but-2-enyl]-1-imino-3-propan-2-ylhepta-3,5-dien-2-amine
SMILES[H]/N=C/[C@H](NC/C=C\C)/C(=C/C=C\C)C(C)C
InChIInChI=1S/C14H24N2/c1-5-7-9-13(12(3)4)14(11-15)16-10-8-6-2/h5-9,11-12,14-16H,10H2,1-4H3/b7-5-,8-6-,13-9+,15-11+/t14-/m0/s1
InChIKeyGUETZMNDHWYYQG-IZZYHSIBSA-N
MW220.36 g/mol
LogP3.33
Rot. Bonds7

About (2R,3E,5Z)-N-[(Z)-but-2-enyl]-1-imino-3-propan-2-ylhepta-3,5-dien-2-amine

(2R,3E,5Z)-N-[(Z)-but-2-enyl]-1-imino-3-propan-2-ylhepta-3,5-dien-2-amine (PubChem CID 174366874) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is (2R,3E,5Z)-N-[(Z)-but-2-enyl]-1-imino-3-propan-2-ylhepta-3,5-dien-2-amine.

Molecular Properties

Compound Name(2R,3E,5Z)-N-[(Z)-but-2-enyl]-1-imino-3-propan-2-ylhepta-3,5-dien-2-amine
PubChem CID174366874
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name(2R,3E,5Z)-N-[(Z)-but-2-enyl]-1-imino-3-propan-2-ylhepta-3,5-dien-2-amine
SMILES[H]/N=C/[C@H](NC/C=C\C)/C(=C/C=C\C)C(C)C
InChIInChI=1S/C14H24N2/c1-5-7-9-13(12(3)4)14(11-15)16-10-8-6-2/h5-9,11-12,14-16H,10H2,1-4H3/b7-5-,8-6-,13-9+,15-11+/t14-/m0/s1
InChIKeyGUETZMNDHWYYQG-IZZYHSIBSA-N
XLogP3.33
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,3E,5Z)-N-[(Z)-but-2-enyl]-1-imino-3-propan-2-ylhepta-3,5-dien-2-amine?
The IUPAC name of (2R,3E,5Z)-N-[(Z)-but-2-enyl]-1-imino-3-propan-2-ylhepta-3,5-dien-2-amine (CID 174366874) is (2R,3E,5Z)-N-[(Z)-but-2-enyl]-1-imino-3-propan-2-ylhepta-3,5-dien-2-amine.
What is the SMILES notation for (2R,3E,5Z)-N-[(Z)-but-2-enyl]-1-imino-3-propan-2-ylhepta-3,5-dien-2-amine?
The canonical SMILES for (2R,3E,5Z)-N-[(Z)-but-2-enyl]-1-imino-3-propan-2-ylhepta-3,5-dien-2-amine is [H]/N=C/[C@H](NC/C=C\C)/C(=C/C=C\C)C(C)C.
What is the InChIKey of (2R,3E,5Z)-N-[(Z)-but-2-enyl]-1-imino-3-propan-2-ylhepta-3,5-dien-2-amine?
The InChIKey is GUETZMNDHWYYQG-IZZYHSIBSA-N. The full InChI is InChI=1S/C14H24N2/c1-5-7-9-13(12(3)4)14(11-15)16-10-8-6-2/h5-9,11-12,14-16H,10H2,1-4H3/b7-5-,8-6-,13-9+,15-11+/t14-/m0/s1.
What are the key properties of (2R,3E,5Z)-N-[(Z)-but-2-enyl]-1-imino-3-propan-2-ylhepta-3,5-dien-2-amine?
(2R,3E,5Z)-N-[(Z)-but-2-enyl]-1-imino-3-propan-2-ylhepta-3,5-dien-2-amine has a molecular weight of 220.36 g/mol, XLogP of 3.33, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3E,5Z)-N-[(Z)-but-2-enyl]-1-imino-3-propan-2-ylhepta-3,5-dien-2-amine is sourced from PubChem (CID 174366874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).