1-N,1-N-dimethyl-3-N-prop-2-enylbutane-1,3-diamine

C9H20N2 — CID 62140698

IUPAC1-N,1-N-dimethyl-3-N-prop-2-enylbutane-1,3-diamine
SMILESC=CCNC(C)CCN(C)C
InChIInChI=1S/C9H20N2/c1-5-7-10-9(2)6-8-11(3)4/h5,9-10H,1,6-8H2,2-4H3
InChIKeyFVZXBKPAAJCTPK-UHFFFAOYSA-N
MW156.27 g/mol
LogP1.10
Rot. Bonds6

About 1-N,1-N-dimethyl-3-N-prop-2-enylbutane-1,3-diamine

1-N,1-N-dimethyl-3-N-prop-2-enylbutane-1,3-diamine (PubChem CID 62140698) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is 1-N,1-N-dimethyl-3-N-prop-2-enylbutane-1,3-diamine.

Molecular Properties

Compound Name1-N,1-N-dimethyl-3-N-prop-2-enylbutane-1,3-diamine
PubChem CID62140698
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name1-N,1-N-dimethyl-3-N-prop-2-enylbutane-1,3-diamine
SMILESC=CCNC(C)CCN(C)C
InChIInChI=1S/C9H20N2/c1-5-7-10-9(2)6-8-11(3)4/h5,9-10H,1,6-8H2,2-4H3
InChIKeyFVZXBKPAAJCTPK-UHFFFAOYSA-N
XLogP1.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 51.10
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,1-N-dimethyl-3-N-prop-2-enylbutane-1,3-diamine?
The IUPAC name of 1-N,1-N-dimethyl-3-N-prop-2-enylbutane-1,3-diamine (CID 62140698) is 1-N,1-N-dimethyl-3-N-prop-2-enylbutane-1,3-diamine.
What is the SMILES notation for 1-N,1-N-dimethyl-3-N-prop-2-enylbutane-1,3-diamine?
The canonical SMILES for 1-N,1-N-dimethyl-3-N-prop-2-enylbutane-1,3-diamine is C=CCNC(C)CCN(C)C.
What is the InChIKey of 1-N,1-N-dimethyl-3-N-prop-2-enylbutane-1,3-diamine?
The InChIKey is FVZXBKPAAJCTPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2/c1-5-7-10-9(2)6-8-11(3)4/h5,9-10H,1,6-8H2,2-4H3.
What are the key properties of 1-N,1-N-dimethyl-3-N-prop-2-enylbutane-1,3-diamine?
1-N,1-N-dimethyl-3-N-prop-2-enylbutane-1,3-diamine has a molecular weight of 156.27 g/mol, XLogP of 1.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-dimethyl-3-N-prop-2-enylbutane-1,3-diamine is sourced from PubChem (CID 62140698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).