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

C26H49N — CID 174195822

IUPACN-(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
SMILESC=CC(C)(C)CC(C)N(C(C)(C)CC(C)(C)C=C)C(C)(C)CC(C)(C)C=C
InChIInChI=1S/C26H49N/c1-15-22(5,6)18-21(4)27(25(11,12)19-23(7,8)16-2)26(13,14)20-24(9,10)17-3/h15-17,21H,1-3,18-20H2,4-14H3
InChIKeyZZIIEYLVMRTIGP-UHFFFAOYSA-N
MW375.69 g/mol
LogP8.04
Rot. Bonds12

About 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

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 (PubChem CID 174195822) has the molecular formula C26H49N and a molecular weight of 375.69 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID174195822
Molecular FormulaC26H49N
Molecular Weight375.69 g/mol
Exact Mass375.39
IUPAC NameN-(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
SMILESC=CC(C)(C)CC(C)N(C(C)(C)CC(C)(C)C=C)C(C)(C)CC(C)(C)C=C
InChIInChI=1S/C26H49N/c1-15-22(5,6)18-21(4)27(25(11,12)19-23(7,8)16-2)26(13,14)20-24(9,10)17-3/h15-17,21H,1-3,18-20H2,4-14H3
InChIKeyZZIIEYLVMRTIGP-UHFFFAOYSA-N
XLogP8.04
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.69
LogP ≤ 58.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=CC(C)(C)CC(C)N(C(C)(C)CC(C)(C)C=C)C(C)(C)CC(C)(C)C=C.
What is the InChIKey of 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?
The InChIKey is ZZIIEYLVMRTIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H49N/c1-15-22(5,6)18-21(4)27(25(11,12)19-23(7,8)16-2)26(13,14)20-24(9,10)17-3/h15-17,21H,1-3,18-20H2,4-14H3.
What are the key properties of 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?
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 has a molecular weight of 375.69 g/mol, XLogP of 8.04, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 174195822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).