N-(3,5-dimethylhexan-2-yl)-3,5-dimethyl-3-propan-2-ylhex-1-en-2-amine

C19H39N — CID 126706749

IUPACN-(3,5-dimethylhexan-2-yl)-3,5-dimethyl-3-propan-2-ylhex-1-en-2-amine
SMILESC=C(NC(C)C(C)CC(C)C)C(C)(CC(C)C)C(C)C
InChIInChI=1S/C19H39N/c1-13(2)11-16(7)17(8)20-18(9)19(10,15(5)6)12-14(3)4/h13-17,20H,9,11-12H2,1-8,10H3
InChIKeySVNBRGHOEZORHZ-UHFFFAOYSA-N
MW281.53 g/mol
LogP5.87
Rot. Bonds9

About N-(3,5-dimethylhexan-2-yl)-3,5-dimethyl-3-propan-2-ylhex-1-en-2-amine

N-(3,5-dimethylhexan-2-yl)-3,5-dimethyl-3-propan-2-ylhex-1-en-2-amine (PubChem CID 126706749) has the molecular formula C19H39N and a molecular weight of 281.53 g/mol. Its IUPAC name is N-(3,5-dimethylhexan-2-yl)-3,5-dimethyl-3-propan-2-ylhex-1-en-2-amine.

Molecular Properties

Compound NameN-(3,5-dimethylhexan-2-yl)-3,5-dimethyl-3-propan-2-ylhex-1-en-2-amine
PubChem CID126706749
Molecular FormulaC19H39N
Molecular Weight281.53 g/mol
Exact Mass281.31
IUPAC NameN-(3,5-dimethylhexan-2-yl)-3,5-dimethyl-3-propan-2-ylhex-1-en-2-amine
SMILESC=C(NC(C)C(C)CC(C)C)C(C)(CC(C)C)C(C)C
InChIInChI=1S/C19H39N/c1-13(2)11-16(7)17(8)20-18(9)19(10,15(5)6)12-14(3)4/h13-17,20H,9,11-12H2,1-8,10H3
InChIKeySVNBRGHOEZORHZ-UHFFFAOYSA-N
XLogP5.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.53
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-fluorobut-3-enyl)-4,4,7,8-tetramethylnon-1-en-2-amine
CID 126559121
N-(2,5-dimethylhex-1-en-3-yl)-4,4-dimethylhex-1-en-2-amine
CID 58185963
4-Tert-butyl-2-methylidenepyrrolidine
CID 59151482
5-Tert-butyl-2-methylidenepiperidine
CID 59464696
3-Tert-butyl-2-methylidenepyrrolidine
CID 59765883
4-Tert-butyl-2-methylidenepiperidine
CID 60053301
2,3-Ditert-butyl-5-methylidenepyrrolidine
CID 68259001
3-tert-butyl-5,5-dimethyl-N-propan-2-ylhex-1-en-2-amine
CID 89192234
4,4-diethyl-5-methyl-2-N-(3-methylbut-1-en-2-yl)-3-methylideneheptane-2,5-diamine
CID 121478737
4-(2,3-dimethylbutyl)-N,3,3,7-tetramethyl-6-propylnona-7,8-dien-2-amine
CID 123291991
N-ethyl-4,5-dimethylhex-1-en-2-amine
CID 124198103
N-heptan-4-yl-4,8-dimethylnona-1,8-dien-2-amine
CID 126510679

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylhexan-2-yl)-3,5-dimethyl-3-propan-2-ylhex-1-en-2-amine?
The IUPAC name of N-(3,5-dimethylhexan-2-yl)-3,5-dimethyl-3-propan-2-ylhex-1-en-2-amine (CID 126706749) is N-(3,5-dimethylhexan-2-yl)-3,5-dimethyl-3-propan-2-ylhex-1-en-2-amine.
What is the SMILES notation for N-(3,5-dimethylhexan-2-yl)-3,5-dimethyl-3-propan-2-ylhex-1-en-2-amine?
The canonical SMILES for N-(3,5-dimethylhexan-2-yl)-3,5-dimethyl-3-propan-2-ylhex-1-en-2-amine is C=C(NC(C)C(C)CC(C)C)C(C)(CC(C)C)C(C)C.
What is the InChIKey of N-(3,5-dimethylhexan-2-yl)-3,5-dimethyl-3-propan-2-ylhex-1-en-2-amine?
The InChIKey is SVNBRGHOEZORHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39N/c1-13(2)11-16(7)17(8)20-18(9)19(10,15(5)6)12-14(3)4/h13-17,20H,9,11-12H2,1-8,10H3.
What are the key properties of N-(3,5-dimethylhexan-2-yl)-3,5-dimethyl-3-propan-2-ylhex-1-en-2-amine?
N-(3,5-dimethylhexan-2-yl)-3,5-dimethyl-3-propan-2-ylhex-1-en-2-amine has a molecular weight of 281.53 g/mol, XLogP of 5.87, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylhexan-2-yl)-3,5-dimethyl-3-propan-2-ylhex-1-en-2-amine is sourced from PubChem (CID 126706749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).