2-N,2-N,2-trimethyl-1-N-[(1Z)-3-methylbuta-1,3-dienyl]propane-1,2-diamine

C11H22N2 — CID 87420332

IUPAC2-N,2-N,2-trimethyl-1-N-[(1Z)-3-methylbuta-1,3-dienyl]propane-1,2-diamine
SMILESC=C(C)/C=C\NCC(C)(C)N(C)C
InChIInChI=1S/C11H22N2/c1-10(2)7-8-12-9-11(3,4)13(5)6/h7-8,12H,1,9H2,2-6H3/b8-7-
InChIKeyNKSPLURTMOPWRO-FPLPWBNLSA-N
MW182.31 g/mol
LogP2.01
Rot. Bonds5

About 2-N,2-N,2-trimethyl-1-N-[(1Z)-3-methylbuta-1,3-dienyl]propane-1,2-diamine

2-N,2-N,2-trimethyl-1-N-[(1Z)-3-methylbuta-1,3-dienyl]propane-1,2-diamine (PubChem CID 87420332) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 2-N,2-N,2-trimethyl-1-N-[(1Z)-3-methylbuta-1,3-dienyl]propane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N,2-trimethyl-1-N-[(1Z)-3-methylbuta-1,3-dienyl]propane-1,2-diamine
PubChem CID87420332
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name2-N,2-N,2-trimethyl-1-N-[(1Z)-3-methylbuta-1,3-dienyl]propane-1,2-diamine
SMILESC=C(C)/C=C\NCC(C)(C)N(C)C
InChIInChI=1S/C11H22N2/c1-10(2)7-8-12-9-11(3,4)13(5)6/h7-8,12H,1,9H2,2-6H3/b8-7-
InChIKeyNKSPLURTMOPWRO-FPLPWBNLSA-N
XLogP2.01
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,2-trimethyl-1-N-[(1Z)-3-methylbuta-1,3-dienyl]propane-1,2-diamine?
The IUPAC name of 2-N,2-N,2-trimethyl-1-N-[(1Z)-3-methylbuta-1,3-dienyl]propane-1,2-diamine (CID 87420332) is 2-N,2-N,2-trimethyl-1-N-[(1Z)-3-methylbuta-1,3-dienyl]propane-1,2-diamine.
What is the SMILES notation for 2-N,2-N,2-trimethyl-1-N-[(1Z)-3-methylbuta-1,3-dienyl]propane-1,2-diamine?
The canonical SMILES for 2-N,2-N,2-trimethyl-1-N-[(1Z)-3-methylbuta-1,3-dienyl]propane-1,2-diamine is C=C(C)/C=C\NCC(C)(C)N(C)C.
What is the InChIKey of 2-N,2-N,2-trimethyl-1-N-[(1Z)-3-methylbuta-1,3-dienyl]propane-1,2-diamine?
The InChIKey is NKSPLURTMOPWRO-FPLPWBNLSA-N. The full InChI is InChI=1S/C11H22N2/c1-10(2)7-8-12-9-11(3,4)13(5)6/h7-8,12H,1,9H2,2-6H3/b8-7-.
What are the key properties of 2-N,2-N,2-trimethyl-1-N-[(1Z)-3-methylbuta-1,3-dienyl]propane-1,2-diamine?
2-N,2-N,2-trimethyl-1-N-[(1Z)-3-methylbuta-1,3-dienyl]propane-1,2-diamine has a molecular weight of 182.31 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,2-trimethyl-1-N-[(1Z)-3-methylbuta-1,3-dienyl]propane-1,2-diamine is sourced from PubChem (CID 87420332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).