N',N'-dimethyl-N-[(2E)-4-methylpenta-2,4-dien-2-yl]ethane-1,2-diamine

C10H20N2 — CID 89318104

IUPACN',N'-dimethyl-N-[(2E)-4-methylpenta-2,4-dien-2-yl]ethane-1,2-diamine
SMILESC=C(C)/C=C(\C)NCCN(C)C
InChIInChI=1S/C10H20N2/c1-9(2)8-10(3)11-6-7-12(4)5/h8,11H,1,6-7H2,2-5H3/b10-8+
InChIKeyVIVFWVZXAMURFQ-CSKARUKUSA-N
MW168.28 g/mol
LogP1.62
Rot. Bonds5

About N',N'-dimethyl-N-[(2E)-4-methylpenta-2,4-dien-2-yl]ethane-1,2-diamine

N',N'-dimethyl-N-[(2E)-4-methylpenta-2,4-dien-2-yl]ethane-1,2-diamine (PubChem CID 89318104) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is N',N'-dimethyl-N-[(2E)-4-methylpenta-2,4-dien-2-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[(2E)-4-methylpenta-2,4-dien-2-yl]ethane-1,2-diamine
PubChem CID89318104
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC NameN',N'-dimethyl-N-[(2E)-4-methylpenta-2,4-dien-2-yl]ethane-1,2-diamine
SMILESC=C(C)/C=C(\C)NCCN(C)C
InChIInChI=1S/C10H20N2/c1-9(2)8-10(3)11-6-7-12(4)5/h8,11H,1,6-7H2,2-5H3/b10-8+
InChIKeyVIVFWVZXAMURFQ-CSKARUKUSA-N
XLogP1.62
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.62
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 N',N'-dimethyl-N-[(2E)-4-methylpenta-2,4-dien-2-yl]ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-[(2E)-4-methylpenta-2,4-dien-2-yl]ethane-1,2-diamine (CID 89318104) is N',N'-dimethyl-N-[(2E)-4-methylpenta-2,4-dien-2-yl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[(2E)-4-methylpenta-2,4-dien-2-yl]ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-[(2E)-4-methylpenta-2,4-dien-2-yl]ethane-1,2-diamine is C=C(C)/C=C(\C)NCCN(C)C.
What is the InChIKey of N',N'-dimethyl-N-[(2E)-4-methylpenta-2,4-dien-2-yl]ethane-1,2-diamine?
The InChIKey is VIVFWVZXAMURFQ-CSKARUKUSA-N. The full InChI is InChI=1S/C10H20N2/c1-9(2)8-10(3)11-6-7-12(4)5/h8,11H,1,6-7H2,2-5H3/b10-8+.
What are the key properties of N',N'-dimethyl-N-[(2E)-4-methylpenta-2,4-dien-2-yl]ethane-1,2-diamine?
N',N'-dimethyl-N-[(2E)-4-methylpenta-2,4-dien-2-yl]ethane-1,2-diamine has a molecular weight of 168.28 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[(2E)-4-methylpenta-2,4-dien-2-yl]ethane-1,2-diamine is sourced from PubChem (CID 89318104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).