(2Z)-2-ethylidene-3-methoxy-3-N-propan-2-ylbutane-1,3-diamine

C10H22N2O — CID 146223301

IUPAC(2Z)-2-ethylidene-3-methoxy-3-N-propan-2-ylbutane-1,3-diamine
SMILESC/C=C(/CN)C(C)(NC(C)C)OC
InChIInChI=1S/C10H22N2O/c1-6-9(7-11)10(4,13-5)12-8(2)3/h6,8,12H,7,11H2,1-5H3/b9-6-
InChIKeyFTEPGHXWAVLONN-TWGQIWQCSA-N
MW186.30 g/mol
LogP1.25
Rot. Bonds5

About (2Z)-2-ethylidene-3-methoxy-3-N-propan-2-ylbutane-1,3-diamine

(2Z)-2-ethylidene-3-methoxy-3-N-propan-2-ylbutane-1,3-diamine (PubChem CID 146223301) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is (2Z)-2-ethylidene-3-methoxy-3-N-propan-2-ylbutane-1,3-diamine.

Molecular Properties

Compound Name(2Z)-2-ethylidene-3-methoxy-3-N-propan-2-ylbutane-1,3-diamine
PubChem CID146223301
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name(2Z)-2-ethylidene-3-methoxy-3-N-propan-2-ylbutane-1,3-diamine
SMILESC/C=C(/CN)C(C)(NC(C)C)OC
InChIInChI=1S/C10H22N2O/c1-6-9(7-11)10(4,13-5)12-8(2)3/h6,8,12H,7,11H2,1-5H3/b9-6-
InChIKeyFTEPGHXWAVLONN-TWGQIWQCSA-N
XLogP1.25
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-ethylidene-3-methoxy-3-N-propan-2-ylbutane-1,3-diamine?
The IUPAC name of (2Z)-2-ethylidene-3-methoxy-3-N-propan-2-ylbutane-1,3-diamine (CID 146223301) is (2Z)-2-ethylidene-3-methoxy-3-N-propan-2-ylbutane-1,3-diamine.
What is the SMILES notation for (2Z)-2-ethylidene-3-methoxy-3-N-propan-2-ylbutane-1,3-diamine?
The canonical SMILES for (2Z)-2-ethylidene-3-methoxy-3-N-propan-2-ylbutane-1,3-diamine is C/C=C(/CN)C(C)(NC(C)C)OC.
What is the InChIKey of (2Z)-2-ethylidene-3-methoxy-3-N-propan-2-ylbutane-1,3-diamine?
The InChIKey is FTEPGHXWAVLONN-TWGQIWQCSA-N. The full InChI is InChI=1S/C10H22N2O/c1-6-9(7-11)10(4,13-5)12-8(2)3/h6,8,12H,7,11H2,1-5H3/b9-6-.
What are the key properties of (2Z)-2-ethylidene-3-methoxy-3-N-propan-2-ylbutane-1,3-diamine?
(2Z)-2-ethylidene-3-methoxy-3-N-propan-2-ylbutane-1,3-diamine has a molecular weight of 186.30 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-ethylidene-3-methoxy-3-N-propan-2-ylbutane-1,3-diamine is sourced from PubChem (CID 146223301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).