N'-but-1-en-2-yl-N'-butylpropane-1,3-diamine

C11H24N2 — CID 89197123

IUPACN'-but-1-en-2-yl-N'-butylpropane-1,3-diamine
SMILESC=C(CC)N(CCCC)CCCN
InChIInChI=1S/C11H24N2/c1-4-6-9-13(10-7-8-12)11(3)5-2/h3-10,12H2,1-2H3
InChIKeyIPQZGNIFAFMKTB-UHFFFAOYSA-N
MW184.33 g/mol
LogP2.36
Rot. Bonds8

About N'-but-1-en-2-yl-N'-butylpropane-1,3-diamine

N'-but-1-en-2-yl-N'-butylpropane-1,3-diamine (PubChem CID 89197123) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is N'-but-1-en-2-yl-N'-butylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-but-1-en-2-yl-N'-butylpropane-1,3-diamine
PubChem CID89197123
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC NameN'-but-1-en-2-yl-N'-butylpropane-1,3-diamine
SMILESC=C(CC)N(CCCC)CCCN
InChIInChI=1S/C11H24N2/c1-4-6-9-13(10-7-8-12)11(3)5-2/h3-10,12H2,1-2H3
InChIKeyIPQZGNIFAFMKTB-UHFFFAOYSA-N
XLogP2.36
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N'-but-1-en-2-yl-N'-butylpropane-1,3-diamine?
The IUPAC name of N'-but-1-en-2-yl-N'-butylpropane-1,3-diamine (CID 89197123) is N'-but-1-en-2-yl-N'-butylpropane-1,3-diamine.
What is the SMILES notation for N'-but-1-en-2-yl-N'-butylpropane-1,3-diamine?
The canonical SMILES for N'-but-1-en-2-yl-N'-butylpropane-1,3-diamine is C=C(CC)N(CCCC)CCCN.
What is the InChIKey of N'-but-1-en-2-yl-N'-butylpropane-1,3-diamine?
The InChIKey is IPQZGNIFAFMKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2/c1-4-6-9-13(10-7-8-12)11(3)5-2/h3-10,12H2,1-2H3.
What are the key properties of N'-but-1-en-2-yl-N'-butylpropane-1,3-diamine?
N'-but-1-en-2-yl-N'-butylpropane-1,3-diamine has a molecular weight of 184.33 g/mol, XLogP of 2.36, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-but-1-en-2-yl-N'-butylpropane-1,3-diamine is sourced from PubChem (CID 89197123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).