(2E)-N-methyl-3-methylidene-N-propan-2-yl-2-[1-(propan-2-ylideneamino)ethylidene]pent-4-en-1-amine

C15H26N2 — CID 170243964

IUPAC(2E)-N-methyl-3-methylidene-N-propan-2-yl-2-[1-(propan-2-ylideneamino)ethylidene]pent-4-en-1-amine
SMILESC=CC(=C)/C(CN(C)C(C)C)=C(/C)N=C(C)C
InChIInChI=1S/C15H26N2/c1-9-13(6)15(10-17(8)12(4)5)14(7)16-11(2)3/h9,12H,1,6,10H2,2-5,7-8H3/b15-14-
InChIKeyMWKKAIOVPNGPPK-PFONDFGASA-N
MW234.39 g/mol
LogP3.82
Rot. Bonds6

About (2E)-N-methyl-3-methylidene-N-propan-2-yl-2-[1-(propan-2-ylideneamino)ethylidene]pent-4-en-1-amine

(2E)-N-methyl-3-methylidene-N-propan-2-yl-2-[1-(propan-2-ylideneamino)ethylidene]pent-4-en-1-amine (PubChem CID 170243964) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is (2E)-N-methyl-3-methylidene-N-propan-2-yl-2-[1-(propan-2-ylideneamino)ethylidene]pent-4-en-1-amine.

Molecular Properties

Compound Name(2E)-N-methyl-3-methylidene-N-propan-2-yl-2-[1-(propan-2-ylideneamino)ethylidene]pent-4-en-1-amine
PubChem CID170243964
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name(2E)-N-methyl-3-methylidene-N-propan-2-yl-2-[1-(propan-2-ylideneamino)ethylidene]pent-4-en-1-amine
SMILESC=CC(=C)/C(CN(C)C(C)C)=C(/C)N=C(C)C
InChIInChI=1S/C15H26N2/c1-9-13(6)15(10-17(8)12(4)5)14(7)16-11(2)3/h9,12H,1,6,10H2,2-5,7-8H3/b15-14-
InChIKeyMWKKAIOVPNGPPK-PFONDFGASA-N
XLogP3.82
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.82
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 (2E)-N-methyl-3-methylidene-N-propan-2-yl-2-[1-(propan-2-ylideneamino)ethylidene]pent-4-en-1-amine?
The IUPAC name of (2E)-N-methyl-3-methylidene-N-propan-2-yl-2-[1-(propan-2-ylideneamino)ethylidene]pent-4-en-1-amine (CID 170243964) is (2E)-N-methyl-3-methylidene-N-propan-2-yl-2-[1-(propan-2-ylideneamino)ethylidene]pent-4-en-1-amine.
What is the SMILES notation for (2E)-N-methyl-3-methylidene-N-propan-2-yl-2-[1-(propan-2-ylideneamino)ethylidene]pent-4-en-1-amine?
The canonical SMILES for (2E)-N-methyl-3-methylidene-N-propan-2-yl-2-[1-(propan-2-ylideneamino)ethylidene]pent-4-en-1-amine is C=CC(=C)/C(CN(C)C(C)C)=C(/C)N=C(C)C.
What is the InChIKey of (2E)-N-methyl-3-methylidene-N-propan-2-yl-2-[1-(propan-2-ylideneamino)ethylidene]pent-4-en-1-amine?
The InChIKey is MWKKAIOVPNGPPK-PFONDFGASA-N. The full InChI is InChI=1S/C15H26N2/c1-9-13(6)15(10-17(8)12(4)5)14(7)16-11(2)3/h9,12H,1,6,10H2,2-5,7-8H3/b15-14-.
What are the key properties of (2E)-N-methyl-3-methylidene-N-propan-2-yl-2-[1-(propan-2-ylideneamino)ethylidene]pent-4-en-1-amine?
(2E)-N-methyl-3-methylidene-N-propan-2-yl-2-[1-(propan-2-ylideneamino)ethylidene]pent-4-en-1-amine has a molecular weight of 234.39 g/mol, XLogP of 3.82, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-methyl-3-methylidene-N-propan-2-yl-2-[1-(propan-2-ylideneamino)ethylidene]pent-4-en-1-amine is sourced from PubChem (CID 170243964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).