1-N-pentyl-1-N-prop-2-enylpropane-1,2-diamine

C11H24N2 — CID 88754797

IUPAC1-N-pentyl-1-N-prop-2-enylpropane-1,2-diamine
SMILESC=CCN(CCCCC)CC(C)N
InChIInChI=1S/C11H24N2/c1-4-6-7-9-13(8-5-2)10-11(3)12/h5,11H,2,4,6-10,12H2,1,3H3
InChIKeyJDLPPQHYBPRBKW-UHFFFAOYSA-N
MW184.33 g/mol
LogP2.01
Rot. Bonds8

About 1-N-pentyl-1-N-prop-2-enylpropane-1,2-diamine

1-N-pentyl-1-N-prop-2-enylpropane-1,2-diamine (PubChem CID 88754797) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is 1-N-pentyl-1-N-prop-2-enylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-pentyl-1-N-prop-2-enylpropane-1,2-diamine
PubChem CID88754797
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC Name1-N-pentyl-1-N-prop-2-enylpropane-1,2-diamine
SMILESC=CCN(CCCCC)CC(C)N
InChIInChI=1S/C11H24N2/c1-4-6-7-9-13(8-5-2)10-11(3)12/h5,11H,2,4,6-10,12H2,1,3H3
InChIKeyJDLPPQHYBPRBKW-UHFFFAOYSA-N
XLogP2.01
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 ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 117296
CID 117296
CID 160052
CID 160052
CID 43810483
CID 43810483
CID 53895224
CID 53895224
CID 12416305
CID 12416305
CID 12416306
CID 12416306
CID 13544007
CID 13544007
CID 13544008
CID 13544008
CID 20977276
CID 20977276
CID 21122644
CID 21122644
CID 21482818
CID 21482818
CID 21698539
CID 21698539

Frequently Asked Questions

What is the IUPAC name of 1-N-pentyl-1-N-prop-2-enylpropane-1,2-diamine?
The IUPAC name of 1-N-pentyl-1-N-prop-2-enylpropane-1,2-diamine (CID 88754797) is 1-N-pentyl-1-N-prop-2-enylpropane-1,2-diamine.
What is the SMILES notation for 1-N-pentyl-1-N-prop-2-enylpropane-1,2-diamine?
The canonical SMILES for 1-N-pentyl-1-N-prop-2-enylpropane-1,2-diamine is C=CCN(CCCCC)CC(C)N.
What is the InChIKey of 1-N-pentyl-1-N-prop-2-enylpropane-1,2-diamine?
The InChIKey is JDLPPQHYBPRBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2/c1-4-6-7-9-13(8-5-2)10-11(3)12/h5,11H,2,4,6-10,12H2,1,3H3.
What are the key properties of 1-N-pentyl-1-N-prop-2-enylpropane-1,2-diamine?
1-N-pentyl-1-N-prop-2-enylpropane-1,2-diamine has a molecular weight of 184.33 g/mol, XLogP of 2.01, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-pentyl-1-N-prop-2-enylpropane-1,2-diamine is sourced from PubChem (CID 88754797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).