(2Z)-2-ethylidene-1-N-[(Z,2E)-2-ethylidene-3-methylpent-3-enyl]-1-N-methylpentane-1,3-diamine

C16H30N2 — CID 139542394

IUPAC(2Z)-2-ethylidene-1-N-[(Z,2E)-2-ethylidene-3-methylpent-3-enyl]-1-N-methylpentane-1,3-diamine
SMILESC/C=C(C)\C(=C/C)CN(C)C/C(=C/C)C(N)CC
InChIInChI=1S/C16H30N2/c1-7-13(5)14(8-2)11-18(6)12-15(9-3)16(17)10-4/h7-9,16H,10-12,17H2,1-6H3/b13-7-,14-8-,15-9-
InChIKeyUFLDGHQRSLCQEQ-ZLUULJOASA-N
MW250.43 g/mol
LogP3.51
Rot. Bonds7

About (2Z)-2-ethylidene-1-N-[(Z,2E)-2-ethylidene-3-methylpent-3-enyl]-1-N-methylpentane-1,3-diamine

(2Z)-2-ethylidene-1-N-[(Z,2E)-2-ethylidene-3-methylpent-3-enyl]-1-N-methylpentane-1,3-diamine (PubChem CID 139542394) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is (2Z)-2-ethylidene-1-N-[(Z,2E)-2-ethylidene-3-methylpent-3-enyl]-1-N-methylpentane-1,3-diamine.

Molecular Properties

Compound Name(2Z)-2-ethylidene-1-N-[(Z,2E)-2-ethylidene-3-methylpent-3-enyl]-1-N-methylpentane-1,3-diamine
PubChem CID139542394
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name(2Z)-2-ethylidene-1-N-[(Z,2E)-2-ethylidene-3-methylpent-3-enyl]-1-N-methylpentane-1,3-diamine
SMILESC/C=C(C)\C(=C/C)CN(C)C/C(=C/C)C(N)CC
InChIInChI=1S/C16H30N2/c1-7-13(5)14(8-2)11-18(6)12-15(9-3)16(17)10-4/h7-9,16H,10-12,17H2,1-6H3/b13-7-,14-8-,15-9-
InChIKeyUFLDGHQRSLCQEQ-ZLUULJOASA-N
XLogP3.51
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-ethylidene-1-N-[(Z,2E)-2-ethylidene-3-methylpent-3-enyl]-1-N-methylpentane-1,3-diamine?
The IUPAC name of (2Z)-2-ethylidene-1-N-[(Z,2E)-2-ethylidene-3-methylpent-3-enyl]-1-N-methylpentane-1,3-diamine (CID 139542394) is (2Z)-2-ethylidene-1-N-[(Z,2E)-2-ethylidene-3-methylpent-3-enyl]-1-N-methylpentane-1,3-diamine.
What is the SMILES notation for (2Z)-2-ethylidene-1-N-[(Z,2E)-2-ethylidene-3-methylpent-3-enyl]-1-N-methylpentane-1,3-diamine?
The canonical SMILES for (2Z)-2-ethylidene-1-N-[(Z,2E)-2-ethylidene-3-methylpent-3-enyl]-1-N-methylpentane-1,3-diamine is C/C=C(C)\C(=C/C)CN(C)C/C(=C/C)C(N)CC.
What is the InChIKey of (2Z)-2-ethylidene-1-N-[(Z,2E)-2-ethylidene-3-methylpent-3-enyl]-1-N-methylpentane-1,3-diamine?
The InChIKey is UFLDGHQRSLCQEQ-ZLUULJOASA-N. The full InChI is InChI=1S/C16H30N2/c1-7-13(5)14(8-2)11-18(6)12-15(9-3)16(17)10-4/h7-9,16H,10-12,17H2,1-6H3/b13-7-,14-8-,15-9-.
What are the key properties of (2Z)-2-ethylidene-1-N-[(Z,2E)-2-ethylidene-3-methylpent-3-enyl]-1-N-methylpentane-1,3-diamine?
(2Z)-2-ethylidene-1-N-[(Z,2E)-2-ethylidene-3-methylpent-3-enyl]-1-N-methylpentane-1,3-diamine has a molecular weight of 250.43 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-ethylidene-1-N-[(Z,2E)-2-ethylidene-3-methylpent-3-enyl]-1-N-methylpentane-1,3-diamine is sourced from PubChem (CID 139542394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).