(4Z)-6-chloro-N-methylhepta-4,6-dien-3-amine

C8H14ClN — CID 137417438

IUPAC(4Z)-6-chloro-N-methylhepta-4,6-dien-3-amine
SMILESC=C(Cl)/C=C\C(CC)NC
InChIInChI=1S/C8H14ClN/c1-4-8(10-3)6-5-7(2)9/h5-6,8,10H,2,4H2,1,3H3/b6-5-
InChIKeyYRRJZYORIFBDAZ-WAYWQWQTSA-N
MW159.66 g/mol
LogP2.29
Rot. Bonds4

About (4Z)-6-chloro-N-methylhepta-4,6-dien-3-amine

(4Z)-6-chloro-N-methylhepta-4,6-dien-3-amine (PubChem CID 137417438) has the molecular formula C8H14ClN and a molecular weight of 159.66 g/mol. Its IUPAC name is (4Z)-6-chloro-N-methylhepta-4,6-dien-3-amine.

Molecular Properties

Compound Name(4Z)-6-chloro-N-methylhepta-4,6-dien-3-amine
PubChem CID137417438
Molecular FormulaC8H14ClN
Molecular Weight159.66 g/mol
Exact Mass159.08
IUPAC Name(4Z)-6-chloro-N-methylhepta-4,6-dien-3-amine
SMILESC=C(Cl)/C=C\C(CC)NC
InChIInChI=1S/C8H14ClN/c1-4-8(10-3)6-5-7(2)9/h5-6,8,10H,2,4H2,1,3H3/b6-5-
InChIKeyYRRJZYORIFBDAZ-WAYWQWQTSA-N
XLogP2.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.66
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4Z)-6-chloro-N-methylhepta-4,6-dien-3-amine?
The IUPAC name of (4Z)-6-chloro-N-methylhepta-4,6-dien-3-amine (CID 137417438) is (4Z)-6-chloro-N-methylhepta-4,6-dien-3-amine.
What is the SMILES notation for (4Z)-6-chloro-N-methylhepta-4,6-dien-3-amine?
The canonical SMILES for (4Z)-6-chloro-N-methylhepta-4,6-dien-3-amine is C=C(Cl)/C=C\C(CC)NC.
What is the InChIKey of (4Z)-6-chloro-N-methylhepta-4,6-dien-3-amine?
The InChIKey is YRRJZYORIFBDAZ-WAYWQWQTSA-N. The full InChI is InChI=1S/C8H14ClN/c1-4-8(10-3)6-5-7(2)9/h5-6,8,10H,2,4H2,1,3H3/b6-5-.
What are the key properties of (4Z)-6-chloro-N-methylhepta-4,6-dien-3-amine?
(4Z)-6-chloro-N-methylhepta-4,6-dien-3-amine has a molecular weight of 159.66 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-6-chloro-N-methylhepta-4,6-dien-3-amine is sourced from PubChem (CID 137417438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).