N-[2,2-dimethylbut-3-enyl(methyl)boranyl]-N-(4,4-dimethylhex-5-en-2-yl)-2,4,4-trimethylhex-5-en-2-amine

C24H46BN — CID 174195812

IUPACN-[2,2-dimethylbut-3-enyl(methyl)boranyl]-N-(4,4-dimethylhex-5-en-2-yl)-2,4,4-trimethylhex-5-en-2-amine
SMILESC=CC(C)(C)CB(C)N(C(C)CC(C)(C)C=C)C(C)(C)CC(C)(C)C=C
InChIInChI=1S/C24H46BN/c1-14-21(5,6)17-20(4)26(25(13)19-23(9,10)16-3)24(11,12)18-22(7,8)15-2/h14-16,20H,1-3,17-19H2,4-13H3
InChIKeyFZEYGKRFENKHGT-UHFFFAOYSA-N
MW359.45 g/mol
LogP7.49
Rot. Bonds12

About N-[2,2-dimethylbut-3-enyl(methyl)boranyl]-N-(4,4-dimethylhex-5-en-2-yl)-2,4,4-trimethylhex-5-en-2-amine

N-[2,2-dimethylbut-3-enyl(methyl)boranyl]-N-(4,4-dimethylhex-5-en-2-yl)-2,4,4-trimethylhex-5-en-2-amine (PubChem CID 174195812) has the molecular formula C24H46BN and a molecular weight of 359.45 g/mol. Its IUPAC name is N-[2,2-dimethylbut-3-enyl(methyl)boranyl]-N-(4,4-dimethylhex-5-en-2-yl)-2,4,4-trimethylhex-5-en-2-amine.

Molecular Properties

Compound NameN-[2,2-dimethylbut-3-enyl(methyl)boranyl]-N-(4,4-dimethylhex-5-en-2-yl)-2,4,4-trimethylhex-5-en-2-amine
PubChem CID174195812
Molecular FormulaC24H46BN
Molecular Weight359.45 g/mol
Exact Mass359.37
IUPAC NameN-[2,2-dimethylbut-3-enyl(methyl)boranyl]-N-(4,4-dimethylhex-5-en-2-yl)-2,4,4-trimethylhex-5-en-2-amine
SMILESC=CC(C)(C)CB(C)N(C(C)CC(C)(C)C=C)C(C)(C)CC(C)(C)C=C
InChIInChI=1S/C24H46BN/c1-14-21(5,6)17-20(4)26(25(13)19-23(9,10)16-3)24(11,12)18-22(7,8)15-2/h14-16,20H,1-3,17-19H2,4-13H3
InChIKeyFZEYGKRFENKHGT-UHFFFAOYSA-N
XLogP7.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.45
LogP ≤ 57.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

ethane;N,4,4-trimethyl-N-pent-4-enylpentan-2-amine
CID 144032553
N-(4,4-dimethylhex-5-en-2-yl)-2,4,4-trimethyl-N-(2,4,4-trimethylhex-5-en-2-yl)hex-5-en-2-amine
CID 174195822

Frequently Asked Questions

What is the IUPAC name of N-[2,2-dimethylbut-3-enyl(methyl)boranyl]-N-(4,4-dimethylhex-5-en-2-yl)-2,4,4-trimethylhex-5-en-2-amine?
The IUPAC name of N-[2,2-dimethylbut-3-enyl(methyl)boranyl]-N-(4,4-dimethylhex-5-en-2-yl)-2,4,4-trimethylhex-5-en-2-amine (CID 174195812) is N-[2,2-dimethylbut-3-enyl(methyl)boranyl]-N-(4,4-dimethylhex-5-en-2-yl)-2,4,4-trimethylhex-5-en-2-amine.
What is the SMILES notation for N-[2,2-dimethylbut-3-enyl(methyl)boranyl]-N-(4,4-dimethylhex-5-en-2-yl)-2,4,4-trimethylhex-5-en-2-amine?
The canonical SMILES for N-[2,2-dimethylbut-3-enyl(methyl)boranyl]-N-(4,4-dimethylhex-5-en-2-yl)-2,4,4-trimethylhex-5-en-2-amine is C=CC(C)(C)CB(C)N(C(C)CC(C)(C)C=C)C(C)(C)CC(C)(C)C=C.
What is the InChIKey of N-[2,2-dimethylbut-3-enyl(methyl)boranyl]-N-(4,4-dimethylhex-5-en-2-yl)-2,4,4-trimethylhex-5-en-2-amine?
The InChIKey is FZEYGKRFENKHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46BN/c1-14-21(5,6)17-20(4)26(25(13)19-23(9,10)16-3)24(11,12)18-22(7,8)15-2/h14-16,20H,1-3,17-19H2,4-13H3.
What are the key properties of N-[2,2-dimethylbut-3-enyl(methyl)boranyl]-N-(4,4-dimethylhex-5-en-2-yl)-2,4,4-trimethylhex-5-en-2-amine?
N-[2,2-dimethylbut-3-enyl(methyl)boranyl]-N-(4,4-dimethylhex-5-en-2-yl)-2,4,4-trimethylhex-5-en-2-amine has a molecular weight of 359.45 g/mol, XLogP of 7.49, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-dimethylbut-3-enyl(methyl)boranyl]-N-(4,4-dimethylhex-5-en-2-yl)-2,4,4-trimethylhex-5-en-2-amine is sourced from PubChem (CID 174195812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).