4-methyl-2-N,2-N-bis(prop-2-enyl)pentane-2,3-diamine

C12H24N2 — CID 88655368

IUPAC4-methyl-2-N,2-N-bis(prop-2-enyl)pentane-2,3-diamine
SMILESC=CCN(CC=C)C(C)C(N)C(C)C
InChIInChI=1S/C12H24N2/c1-6-8-14(9-7-2)11(5)12(13)10(3)4/h6-7,10-12H,1-2,8-9,13H2,3-5H3
InChIKeyDHRBFDLDNFXBDQ-UHFFFAOYSA-N
MW196.34 g/mol
LogP2.03
Rot. Bonds7

About 4-methyl-2-N,2-N-bis(prop-2-enyl)pentane-2,3-diamine

4-methyl-2-N,2-N-bis(prop-2-enyl)pentane-2,3-diamine (PubChem CID 88655368) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 4-methyl-2-N,2-N-bis(prop-2-enyl)pentane-2,3-diamine.

Molecular Properties

Compound Name4-methyl-2-N,2-N-bis(prop-2-enyl)pentane-2,3-diamine
PubChem CID88655368
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name4-methyl-2-N,2-N-bis(prop-2-enyl)pentane-2,3-diamine
SMILESC=CCN(CC=C)C(C)C(N)C(C)C
InChIInChI=1S/C12H24N2/c1-6-8-14(9-7-2)11(5)12(13)10(3)4/h6-7,10-12H,1-2,8-9,13H2,3-5H3
InChIKeyDHRBFDLDNFXBDQ-UHFFFAOYSA-N
XLogP2.03
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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 4-methyl-2-N,2-N-bis(prop-2-enyl)pentane-2,3-diamine?
The IUPAC name of 4-methyl-2-N,2-N-bis(prop-2-enyl)pentane-2,3-diamine (CID 88655368) is 4-methyl-2-N,2-N-bis(prop-2-enyl)pentane-2,3-diamine.
What is the SMILES notation for 4-methyl-2-N,2-N-bis(prop-2-enyl)pentane-2,3-diamine?
The canonical SMILES for 4-methyl-2-N,2-N-bis(prop-2-enyl)pentane-2,3-diamine is C=CCN(CC=C)C(C)C(N)C(C)C.
What is the InChIKey of 4-methyl-2-N,2-N-bis(prop-2-enyl)pentane-2,3-diamine?
The InChIKey is DHRBFDLDNFXBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-6-8-14(9-7-2)11(5)12(13)10(3)4/h6-7,10-12H,1-2,8-9,13H2,3-5H3.
What are the key properties of 4-methyl-2-N,2-N-bis(prop-2-enyl)pentane-2,3-diamine?
4-methyl-2-N,2-N-bis(prop-2-enyl)pentane-2,3-diamine has a molecular weight of 196.34 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-N,2-N-bis(prop-2-enyl)pentane-2,3-diamine is sourced from PubChem (CID 88655368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).