(2S,3R)-3-methyl-1-N,1-N-bis(prop-2-enyl)pentane-1,2-diamine

C12H24N2 — CID 28596727

IUPAC(2S,3R)-3-methyl-1-N,1-N-bis(prop-2-enyl)pentane-1,2-diamine
SMILESC=CCN(CC=C)C[C@@H](N)[C@H](C)CC
InChIInChI=1S/C12H24N2/c1-5-8-14(9-6-2)10-12(13)11(4)7-3/h5-6,11-12H,1-2,7-10,13H2,3-4H3/t11-,12-/m1/s1
InChIKeyURHPXJCBQKMYLA-VXGBXAGGSA-N
MW196.34 g/mol
LogP2.03
Rot. Bonds8

About (2S,3R)-3-methyl-1-N,1-N-bis(prop-2-enyl)pentane-1,2-diamine

(2S,3R)-3-methyl-1-N,1-N-bis(prop-2-enyl)pentane-1,2-diamine (PubChem CID 28596727) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is (2S,3R)-3-methyl-1-N,1-N-bis(prop-2-enyl)pentane-1,2-diamine.

Molecular Properties

Compound Name(2S,3R)-3-methyl-1-N,1-N-bis(prop-2-enyl)pentane-1,2-diamine
PubChem CID28596727
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name(2S,3R)-3-methyl-1-N,1-N-bis(prop-2-enyl)pentane-1,2-diamine
SMILESC=CCN(CC=C)C[C@@H](N)[C@H](C)CC
InChIInChI=1S/C12H24N2/c1-5-8-14(9-6-2)10-12(13)11(4)7-3/h5-6,11-12H,1-2,7-10,13H2,3-4H3/t11-,12-/m1/s1
InChIKeyURHPXJCBQKMYLA-VXGBXAGGSA-N
XLogP2.03
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 52.03
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 (2S,3R)-3-methyl-1-N,1-N-bis(prop-2-enyl)pentane-1,2-diamine?
The IUPAC name of (2S,3R)-3-methyl-1-N,1-N-bis(prop-2-enyl)pentane-1,2-diamine (CID 28596727) is (2S,3R)-3-methyl-1-N,1-N-bis(prop-2-enyl)pentane-1,2-diamine.
What is the SMILES notation for (2S,3R)-3-methyl-1-N,1-N-bis(prop-2-enyl)pentane-1,2-diamine?
The canonical SMILES for (2S,3R)-3-methyl-1-N,1-N-bis(prop-2-enyl)pentane-1,2-diamine is C=CCN(CC=C)C[C@@H](N)[C@H](C)CC.
What is the InChIKey of (2S,3R)-3-methyl-1-N,1-N-bis(prop-2-enyl)pentane-1,2-diamine?
The InChIKey is URHPXJCBQKMYLA-VXGBXAGGSA-N. The full InChI is InChI=1S/C12H24N2/c1-5-8-14(9-6-2)10-12(13)11(4)7-3/h5-6,11-12H,1-2,7-10,13H2,3-4H3/t11-,12-/m1/s1.
What are the key properties of (2S,3R)-3-methyl-1-N,1-N-bis(prop-2-enyl)pentane-1,2-diamine?
(2S,3R)-3-methyl-1-N,1-N-bis(prop-2-enyl)pentane-1,2-diamine has a molecular weight of 196.34 g/mol, XLogP of 2.03, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-methyl-1-N,1-N-bis(prop-2-enyl)pentane-1,2-diamine is sourced from PubChem (CID 28596727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).