N'-but-1-en-2-ylheptane-1,7-diamine

C11H24N2 — CID 134334701

IUPACN'-but-1-en-2-ylheptane-1,7-diamine
SMILESC=C(CC)NCCCCCCCN
InChIInChI=1S/C11H24N2/c1-3-11(2)13-10-8-6-4-5-7-9-12/h13H,2-10,12H2,1H3
InChIKeyRJCBCHLTQINDSN-UHFFFAOYSA-N
MW184.33 g/mol
LogP2.41
Rot. Bonds9

About N'-but-1-en-2-ylheptane-1,7-diamine

N'-but-1-en-2-ylheptane-1,7-diamine (PubChem CID 134334701) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is N'-but-1-en-2-ylheptane-1,7-diamine.

Molecular Properties

Compound NameN'-but-1-en-2-ylheptane-1,7-diamine
PubChem CID134334701
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC NameN'-but-1-en-2-ylheptane-1,7-diamine
SMILESC=C(CC)NCCCCCCCN
InChIInChI=1S/C11H24N2/c1-3-11(2)13-10-8-6-4-5-7-9-12/h13H,2-10,12H2,1H3
InChIKeyRJCBCHLTQINDSN-UHFFFAOYSA-N
XLogP2.41
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-but-1-en-2-ylheptane-1,7-diamine?
The IUPAC name of N'-but-1-en-2-ylheptane-1,7-diamine (CID 134334701) is N'-but-1-en-2-ylheptane-1,7-diamine.
What is the SMILES notation for N'-but-1-en-2-ylheptane-1,7-diamine?
The canonical SMILES for N'-but-1-en-2-ylheptane-1,7-diamine is C=C(CC)NCCCCCCCN.
What is the InChIKey of N'-but-1-en-2-ylheptane-1,7-diamine?
The InChIKey is RJCBCHLTQINDSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2/c1-3-11(2)13-10-8-6-4-5-7-9-12/h13H,2-10,12H2,1H3.
What are the key properties of N'-but-1-en-2-ylheptane-1,7-diamine?
N'-but-1-en-2-ylheptane-1,7-diamine has a molecular weight of 184.33 g/mol, XLogP of 2.41, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-but-1-en-2-ylheptane-1,7-diamine is sourced from PubChem (CID 134334701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).