1-N-ethyl-2-ethylidene-1-N,3-dimethyl-4-spiro[2.3]hexan-2-ylpentane-1,4-diamine

C17H32N2 — CID 123257586

IUPAC1-N-ethyl-2-ethylidene-1-N,3-dimethyl-4-spiro[2.3]hexan-2-ylpentane-1,4-diamine
SMILESCC=C(CN(C)CC)C(C)C(C)(N)C1CC12CCC2
InChIInChI=1S/C17H32N2/c1-6-14(12-19(5)7-2)13(3)16(4,18)15-11-17(15)9-8-10-17/h6,13,15H,7-12,18H2,1-5H3
InChIKeyUQMAREAKPJEQJB-UHFFFAOYSA-N
MW264.46 g/mol
LogP3.43
Rot. Bonds6

About 1-N-ethyl-2-ethylidene-1-N,3-dimethyl-4-spiro[2.3]hexan-2-ylpentane-1,4-diamine

1-N-ethyl-2-ethylidene-1-N,3-dimethyl-4-spiro[2.3]hexan-2-ylpentane-1,4-diamine (PubChem CID 123257586) has the molecular formula C17H32N2 and a molecular weight of 264.46 g/mol. Its IUPAC name is 1-N-ethyl-2-ethylidene-1-N,3-dimethyl-4-spiro[2.3]hexan-2-ylpentane-1,4-diamine.

Molecular Properties

Compound Name1-N-ethyl-2-ethylidene-1-N,3-dimethyl-4-spiro[2.3]hexan-2-ylpentane-1,4-diamine
PubChem CID123257586
Molecular FormulaC17H32N2
Molecular Weight264.46 g/mol
Exact Mass264.26
IUPAC Name1-N-ethyl-2-ethylidene-1-N,3-dimethyl-4-spiro[2.3]hexan-2-ylpentane-1,4-diamine
SMILESCC=C(CN(C)CC)C(C)C(C)(N)C1CC12CCC2
InChIInChI=1S/C17H32N2/c1-6-14(12-19(5)7-2)13(3)16(4,18)15-11-17(15)9-8-10-17/h6,13,15H,7-12,18H2,1-5H3
InChIKeyUQMAREAKPJEQJB-UHFFFAOYSA-N
XLogP3.43
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.46
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-2-ethylidene-1-N,3-dimethyl-4-spiro[2.3]hexan-2-ylpentane-1,4-diamine?
The IUPAC name of 1-N-ethyl-2-ethylidene-1-N,3-dimethyl-4-spiro[2.3]hexan-2-ylpentane-1,4-diamine (CID 123257586) is 1-N-ethyl-2-ethylidene-1-N,3-dimethyl-4-spiro[2.3]hexan-2-ylpentane-1,4-diamine.
What is the SMILES notation for 1-N-ethyl-2-ethylidene-1-N,3-dimethyl-4-spiro[2.3]hexan-2-ylpentane-1,4-diamine?
The canonical SMILES for 1-N-ethyl-2-ethylidene-1-N,3-dimethyl-4-spiro[2.3]hexan-2-ylpentane-1,4-diamine is CC=C(CN(C)CC)C(C)C(C)(N)C1CC12CCC2.
What is the InChIKey of 1-N-ethyl-2-ethylidene-1-N,3-dimethyl-4-spiro[2.3]hexan-2-ylpentane-1,4-diamine?
The InChIKey is UQMAREAKPJEQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2/c1-6-14(12-19(5)7-2)13(3)16(4,18)15-11-17(15)9-8-10-17/h6,13,15H,7-12,18H2,1-5H3.
What are the key properties of 1-N-ethyl-2-ethylidene-1-N,3-dimethyl-4-spiro[2.3]hexan-2-ylpentane-1,4-diamine?
1-N-ethyl-2-ethylidene-1-N,3-dimethyl-4-spiro[2.3]hexan-2-ylpentane-1,4-diamine has a molecular weight of 264.46 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-2-ethylidene-1-N,3-dimethyl-4-spiro[2.3]hexan-2-ylpentane-1,4-diamine is sourced from PubChem (CID 123257586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).