(3Z,5Z)-N-prop-1-en-2-ylhepta-1,3,5-trien-2-amine

C10H15N — CID 137427597

IUPAC(3Z,5Z)-N-prop-1-en-2-ylhepta-1,3,5-trien-2-amine
SMILESC=C(C)NC(=C)/C=C\C=C/C
InChIInChI=1S/C10H15N/c1-5-6-7-8-10(4)11-9(2)3/h5-8,11H,2,4H2,1,3H3/b6-5-,8-7-
InChIKeyZJSSPPXRPYNBGW-ISTTXYCBSA-N
MW149.24 g/mol
LogP2.76
Rot. Bonds4

About (3Z,5Z)-N-prop-1-en-2-ylhepta-1,3,5-trien-2-amine

(3Z,5Z)-N-prop-1-en-2-ylhepta-1,3,5-trien-2-amine (PubChem CID 137427597) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is (3Z,5Z)-N-prop-1-en-2-ylhepta-1,3,5-trien-2-amine.

Molecular Properties

Compound Name(3Z,5Z)-N-prop-1-en-2-ylhepta-1,3,5-trien-2-amine
PubChem CID137427597
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name(3Z,5Z)-N-prop-1-en-2-ylhepta-1,3,5-trien-2-amine
SMILESC=C(C)NC(=C)/C=C\C=C/C
InChIInChI=1S/C10H15N/c1-5-6-7-8-10(4)11-9(2)3/h5-8,11H,2,4H2,1,3H3/b6-5-,8-7-
InChIKeyZJSSPPXRPYNBGW-ISTTXYCBSA-N
XLogP2.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-2-methylguanidine
CID 148737782
2-methylhepta-1,3,5-triene
CID 54571604
N-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-2-[(2-methylpropan-2-yl)oxyamino]ethanethioamide
CID 156863384
2-(prop-1-en-2-ylamino)prop-2-enal
CID 89343212
(Z)-N-prop-1-en-2-ylbut-2-en-2-amine
CID 142199904
methane;(2Z,4E,6E,8E)-5-prop-1-en-2-yldeca-2,4,6,8-tetraene
CID 163241404
ethane;methoxymethane;(2Z,4Z,6Z)-3-methylocta-2,4,6-triene
CID 144653602
(3Z)-hepta-3,5-dien-2-one
CID 123850748
(3Z,5E)-hepta-3,5-dien-2-one
CID 12524557
ethane;(3Z,5Z)-2-methylhepta-1,3,5-triene;toluene
CID 142426246
(2E,4Z)-N,2-bis(prop-1-en-2-yl)hexa-2,4-dienamide
CID 142187285
N-[(2E,4Z,6Z)-3-methylocta-2,4,6-trien-2-yl]acetamide
CID 166970905

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-N-prop-1-en-2-ylhepta-1,3,5-trien-2-amine?
The IUPAC name of (3Z,5Z)-N-prop-1-en-2-ylhepta-1,3,5-trien-2-amine (CID 137427597) is (3Z,5Z)-N-prop-1-en-2-ylhepta-1,3,5-trien-2-amine.
What is the SMILES notation for (3Z,5Z)-N-prop-1-en-2-ylhepta-1,3,5-trien-2-amine?
The canonical SMILES for (3Z,5Z)-N-prop-1-en-2-ylhepta-1,3,5-trien-2-amine is C=C(C)NC(=C)/C=C\C=C/C.
What is the InChIKey of (3Z,5Z)-N-prop-1-en-2-ylhepta-1,3,5-trien-2-amine?
The InChIKey is ZJSSPPXRPYNBGW-ISTTXYCBSA-N. The full InChI is InChI=1S/C10H15N/c1-5-6-7-8-10(4)11-9(2)3/h5-8,11H,2,4H2,1,3H3/b6-5-,8-7-.
What are the key properties of (3Z,5Z)-N-prop-1-en-2-ylhepta-1,3,5-trien-2-amine?
(3Z,5Z)-N-prop-1-en-2-ylhepta-1,3,5-trien-2-amine has a molecular weight of 149.24 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-N-prop-1-en-2-ylhepta-1,3,5-trien-2-amine is sourced from PubChem (CID 137427597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).