N'-but-3-enyl-N'-(2,4,4-trimethylhex-5-en-2-yl)ethane-1,2-diamine

C15H30N2 — CID 163874388

IUPACN'-but-3-enyl-N'-(2,4,4-trimethylhex-5-en-2-yl)ethane-1,2-diamine
SMILESC=CCCN(CCN)C(C)(C)CC(C)(C)C=C
InChIInChI=1S/C15H30N2/c1-7-9-11-17(12-10-16)15(5,6)13-14(3,4)8-2/h7-8H,1-2,9-13,16H2,3-6H3
InChIKeyPNPHCBBIJRWEEZ-UHFFFAOYSA-N
MW238.42 g/mol
LogP3.20
Rot. Bonds9

About N'-but-3-enyl-N'-(2,4,4-trimethylhex-5-en-2-yl)ethane-1,2-diamine

N'-but-3-enyl-N'-(2,4,4-trimethylhex-5-en-2-yl)ethane-1,2-diamine (PubChem CID 163874388) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is N'-but-3-enyl-N'-(2,4,4-trimethylhex-5-en-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-but-3-enyl-N'-(2,4,4-trimethylhex-5-en-2-yl)ethane-1,2-diamine
PubChem CID163874388
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC NameN'-but-3-enyl-N'-(2,4,4-trimethylhex-5-en-2-yl)ethane-1,2-diamine
SMILESC=CCCN(CCN)C(C)(C)CC(C)(C)C=C
InChIInChI=1S/C15H30N2/c1-7-9-11-17(12-10-16)15(5,6)13-14(3,4)8-2/h7-8H,1-2,9-13,16H2,3-6H3
InChIKeyPNPHCBBIJRWEEZ-UHFFFAOYSA-N
XLogP3.20
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.20
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 N'-but-3-enyl-N'-(2,4,4-trimethylhex-5-en-2-yl)ethane-1,2-diamine?
The IUPAC name of N'-but-3-enyl-N'-(2,4,4-trimethylhex-5-en-2-yl)ethane-1,2-diamine (CID 163874388) is N'-but-3-enyl-N'-(2,4,4-trimethylhex-5-en-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-but-3-enyl-N'-(2,4,4-trimethylhex-5-en-2-yl)ethane-1,2-diamine?
The canonical SMILES for N'-but-3-enyl-N'-(2,4,4-trimethylhex-5-en-2-yl)ethane-1,2-diamine is C=CCCN(CCN)C(C)(C)CC(C)(C)C=C.
What is the InChIKey of N'-but-3-enyl-N'-(2,4,4-trimethylhex-5-en-2-yl)ethane-1,2-diamine?
The InChIKey is PNPHCBBIJRWEEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-7-9-11-17(12-10-16)15(5,6)13-14(3,4)8-2/h7-8H,1-2,9-13,16H2,3-6H3.
What are the key properties of N'-but-3-enyl-N'-(2,4,4-trimethylhex-5-en-2-yl)ethane-1,2-diamine?
N'-but-3-enyl-N'-(2,4,4-trimethylhex-5-en-2-yl)ethane-1,2-diamine has a molecular weight of 238.42 g/mol, XLogP of 3.20, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-but-3-enyl-N'-(2,4,4-trimethylhex-5-en-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 163874388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).