3-N-but-3-en-2-yl-1-N,1-N-dimethylbutane-1,3-diamine

C10H22N2 — CID 104864569

IUPAC3-N-but-3-en-2-yl-1-N,1-N-dimethylbutane-1,3-diamine
SMILESC=CC(C)NC(C)CCN(C)C
InChIInChI=1S/C10H22N2/c1-6-9(2)11-10(3)7-8-12(4)5/h6,9-11H,1,7-8H2,2-5H3
InChIKeyMBRJNPWUYZBZQJ-UHFFFAOYSA-N
MW170.30 g/mol
LogP1.49
Rot. Bonds6

About 3-N-but-3-en-2-yl-1-N,1-N-dimethylbutane-1,3-diamine

3-N-but-3-en-2-yl-1-N,1-N-dimethylbutane-1,3-diamine (PubChem CID 104864569) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is 3-N-but-3-en-2-yl-1-N,1-N-dimethylbutane-1,3-diamine.

Molecular Properties

Compound Name3-N-but-3-en-2-yl-1-N,1-N-dimethylbutane-1,3-diamine
PubChem CID104864569
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Name3-N-but-3-en-2-yl-1-N,1-N-dimethylbutane-1,3-diamine
SMILESC=CC(C)NC(C)CCN(C)C
InChIInChI=1S/C10H22N2/c1-6-9(2)11-10(3)7-8-12(4)5/h6,9-11H,1,7-8H2,2-5H3
InChIKeyMBRJNPWUYZBZQJ-UHFFFAOYSA-N
XLogP1.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N'-prop-2-enylbutane-1,4-diamine
CID 146444
Allyl-(1-methyl-pent-4-enyl)-amine
CID 11788335
2-Propylamino-5-hexene
CID 12541939
Isopropylpent-4-enylamine
CID 551578
N-but-3-enylbutan-1-amine
CID 9989283
N-but-3-enylhex-5-en-2-amine
CID 11332577
divinyl propyl Dimethyl ammonium chloride
CID 177256401
1-N,3-N-dibutyl-2-methylidenepent-4-ene-1,3-diamine
CID 10775540
N-butylhex-5-en-2-amine
CID 11008161
3-Aminopropyl-dimethyl-prop-2-enylazanium
CID 3017461
N-pent-1-en-3-ylpent-1-en-3-amine
CID 17800492
N-but-3-en-2-ylbut-3-en-2-amine
CID 17841654

Frequently Asked Questions

What is the IUPAC name of 3-N-but-3-en-2-yl-1-N,1-N-dimethylbutane-1,3-diamine?
The IUPAC name of 3-N-but-3-en-2-yl-1-N,1-N-dimethylbutane-1,3-diamine (CID 104864569) is 3-N-but-3-en-2-yl-1-N,1-N-dimethylbutane-1,3-diamine.
What is the SMILES notation for 3-N-but-3-en-2-yl-1-N,1-N-dimethylbutane-1,3-diamine?
The canonical SMILES for 3-N-but-3-en-2-yl-1-N,1-N-dimethylbutane-1,3-diamine is C=CC(C)NC(C)CCN(C)C.
What is the InChIKey of 3-N-but-3-en-2-yl-1-N,1-N-dimethylbutane-1,3-diamine?
The InChIKey is MBRJNPWUYZBZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c1-6-9(2)11-10(3)7-8-12(4)5/h6,9-11H,1,7-8H2,2-5H3.
What are the key properties of 3-N-but-3-en-2-yl-1-N,1-N-dimethylbutane-1,3-diamine?
3-N-but-3-en-2-yl-1-N,1-N-dimethylbutane-1,3-diamine has a molecular weight of 170.30 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-but-3-en-2-yl-1-N,1-N-dimethylbutane-1,3-diamine is sourced from PubChem (CID 104864569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).