(3Z,5Z,6Z)-3-methyl-5-[1-(propan-2-ylideneamino)ethylidene]deca-3,6-dien-4-amine

C16H28N2 — CID 177018836

IUPAC(3Z,5Z,6Z)-3-methyl-5-[1-(propan-2-ylideneamino)ethylidene]deca-3,6-dien-4-amine
SMILESCCC/C=C\C(=C(/C)N=C(C)C)\C(N)=C(/C)CC
InChIInChI=1S/C16H28N2/c1-7-9-10-11-15(14(6)18-12(3)4)16(17)13(5)8-2/h10-11H,7-9,17H2,1-6H3/b11-10-,15-14-,16-13-
InChIKeyNHULMVNNDVDRDS-XUQZOURFSA-N
MW248.41 g/mol
LogP4.74
Rot. Bonds6

About (3Z,5Z,6Z)-3-methyl-5-[1-(propan-2-ylideneamino)ethylidene]deca-3,6-dien-4-amine

(3Z,5Z,6Z)-3-methyl-5-[1-(propan-2-ylideneamino)ethylidene]deca-3,6-dien-4-amine (PubChem CID 177018836) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is (3Z,5Z,6Z)-3-methyl-5-[1-(propan-2-ylideneamino)ethylidene]deca-3,6-dien-4-amine.

Molecular Properties

Compound Name(3Z,5Z,6Z)-3-methyl-5-[1-(propan-2-ylideneamino)ethylidene]deca-3,6-dien-4-amine
PubChem CID177018836
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name(3Z,5Z,6Z)-3-methyl-5-[1-(propan-2-ylideneamino)ethylidene]deca-3,6-dien-4-amine
SMILESCCC/C=C\C(=C(/C)N=C(C)C)\C(N)=C(/C)CC
InChIInChI=1S/C16H28N2/c1-7-9-10-11-15(14(6)18-12(3)4)16(17)13(5)8-2/h10-11H,7-9,17H2,1-6H3/b11-10-,15-14-,16-13-
InChIKeyNHULMVNNDVDRDS-XUQZOURFSA-N
XLogP4.74
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 54.74
H-Bond Donors ≤ 51
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 (3Z,5Z,6Z)-3-methyl-5-[1-(propan-2-ylideneamino)ethylidene]deca-3,6-dien-4-amine?
The IUPAC name of (3Z,5Z,6Z)-3-methyl-5-[1-(propan-2-ylideneamino)ethylidene]deca-3,6-dien-4-amine (CID 177018836) is (3Z,5Z,6Z)-3-methyl-5-[1-(propan-2-ylideneamino)ethylidene]deca-3,6-dien-4-amine.
What is the SMILES notation for (3Z,5Z,6Z)-3-methyl-5-[1-(propan-2-ylideneamino)ethylidene]deca-3,6-dien-4-amine?
The canonical SMILES for (3Z,5Z,6Z)-3-methyl-5-[1-(propan-2-ylideneamino)ethylidene]deca-3,6-dien-4-amine is CCC/C=C\C(=C(/C)N=C(C)C)\C(N)=C(/C)CC.
What is the InChIKey of (3Z,5Z,6Z)-3-methyl-5-[1-(propan-2-ylideneamino)ethylidene]deca-3,6-dien-4-amine?
The InChIKey is NHULMVNNDVDRDS-XUQZOURFSA-N. The full InChI is InChI=1S/C16H28N2/c1-7-9-10-11-15(14(6)18-12(3)4)16(17)13(5)8-2/h10-11H,7-9,17H2,1-6H3/b11-10-,15-14-,16-13-.
What are the key properties of (3Z,5Z,6Z)-3-methyl-5-[1-(propan-2-ylideneamino)ethylidene]deca-3,6-dien-4-amine?
(3Z,5Z,6Z)-3-methyl-5-[1-(propan-2-ylideneamino)ethylidene]deca-3,6-dien-4-amine has a molecular weight of 248.41 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z,6Z)-3-methyl-5-[1-(propan-2-ylideneamino)ethylidene]deca-3,6-dien-4-amine is sourced from PubChem (CID 177018836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).