(4Z)-N,N-diethyl-4-[(E)-1-(ethylideneamino)prop-1-enyl]hepta-4,6-dien-3-amine

C16H28N2 — CID 134526711

IUPAC(4Z)-N,N-diethyl-4-[(E)-1-(ethylideneamino)prop-1-enyl]hepta-4,6-dien-3-amine
SMILESC=C/C=C(C(=C/C)\N=C\C)/C(CC)N(CC)CC
InChIInChI=1S/C16H28N2/c1-7-13-14(15(8-2)17-10-4)16(9-3)18(11-5)12-6/h7-8,10,13,16H,1,9,11-12H2,2-6H3/b14-13+,15-8+,17-10+
InChIKeySFSJQVRCEYTRKQ-LSEPDTONSA-N
MW248.41 g/mol
LogP4.21
Rot. Bonds8

About (4Z)-N,N-diethyl-4-[(E)-1-(ethylideneamino)prop-1-enyl]hepta-4,6-dien-3-amine

(4Z)-N,N-diethyl-4-[(E)-1-(ethylideneamino)prop-1-enyl]hepta-4,6-dien-3-amine (PubChem CID 134526711) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is (4Z)-N,N-diethyl-4-[(E)-1-(ethylideneamino)prop-1-enyl]hepta-4,6-dien-3-amine.

Molecular Properties

Compound Name(4Z)-N,N-diethyl-4-[(E)-1-(ethylideneamino)prop-1-enyl]hepta-4,6-dien-3-amine
PubChem CID134526711
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name(4Z)-N,N-diethyl-4-[(E)-1-(ethylideneamino)prop-1-enyl]hepta-4,6-dien-3-amine
SMILESC=C/C=C(C(=C/C)\N=C\C)/C(CC)N(CC)CC
InChIInChI=1S/C16H28N2/c1-7-13-14(15(8-2)17-10-4)16(9-3)18(11-5)12-6/h7-8,10,13,16H,1,9,11-12H2,2-6H3/b14-13+,15-8+,17-10+
InChIKeySFSJQVRCEYTRKQ-LSEPDTONSA-N
XLogP4.21
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4Z)-N,N-diethyl-4-[(E)-1-(ethylideneamino)prop-1-enyl]hepta-4,6-dien-3-amine?
The IUPAC name of (4Z)-N,N-diethyl-4-[(E)-1-(ethylideneamino)prop-1-enyl]hepta-4,6-dien-3-amine (CID 134526711) is (4Z)-N,N-diethyl-4-[(E)-1-(ethylideneamino)prop-1-enyl]hepta-4,6-dien-3-amine.
What is the SMILES notation for (4Z)-N,N-diethyl-4-[(E)-1-(ethylideneamino)prop-1-enyl]hepta-4,6-dien-3-amine?
The canonical SMILES for (4Z)-N,N-diethyl-4-[(E)-1-(ethylideneamino)prop-1-enyl]hepta-4,6-dien-3-amine is C=C/C=C(C(=C/C)\N=C\C)/C(CC)N(CC)CC.
What is the InChIKey of (4Z)-N,N-diethyl-4-[(E)-1-(ethylideneamino)prop-1-enyl]hepta-4,6-dien-3-amine?
The InChIKey is SFSJQVRCEYTRKQ-LSEPDTONSA-N. The full InChI is InChI=1S/C16H28N2/c1-7-13-14(15(8-2)17-10-4)16(9-3)18(11-5)12-6/h7-8,10,13,16H,1,9,11-12H2,2-6H3/b14-13+,15-8+,17-10+.
What are the key properties of (4Z)-N,N-diethyl-4-[(E)-1-(ethylideneamino)prop-1-enyl]hepta-4,6-dien-3-amine?
(4Z)-N,N-diethyl-4-[(E)-1-(ethylideneamino)prop-1-enyl]hepta-4,6-dien-3-amine has a molecular weight of 248.41 g/mol, XLogP of 4.21, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-N,N-diethyl-4-[(E)-1-(ethylideneamino)prop-1-enyl]hepta-4,6-dien-3-amine is sourced from PubChem (CID 134526711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).