N-[2,2-dimethyl-3-(2,2,4-trimethylpentoxy)propyl]-5-methylhex-1-en-2-amine

C20H41NO — CID 178123000

IUPACN-[2,2-dimethyl-3-(2,2,4-trimethylpentoxy)propyl]-5-methylhex-1-en-2-amine
SMILESC=C(CCC(C)C)NCC(C)(C)COCC(C)(C)CC(C)C
InChIInChI=1S/C20H41NO/c1-16(2)10-11-18(5)21-13-20(8,9)15-22-14-19(6,7)12-17(3)4/h16-17,21H,5,10-15H2,1-4,6-9H3
InChIKeySSCDEVRDFZGCKZ-UHFFFAOYSA-N
MW311.55 g/mol
LogP5.64
Rot. Bonds12

About N-[2,2-dimethyl-3-(2,2,4-trimethylpentoxy)propyl]-5-methylhex-1-en-2-amine

N-[2,2-dimethyl-3-(2,2,4-trimethylpentoxy)propyl]-5-methylhex-1-en-2-amine (PubChem CID 178123000) has the molecular formula C20H41NO and a molecular weight of 311.55 g/mol. Its IUPAC name is N-[2,2-dimethyl-3-(2,2,4-trimethylpentoxy)propyl]-5-methylhex-1-en-2-amine.

Molecular Properties

Compound NameN-[2,2-dimethyl-3-(2,2,4-trimethylpentoxy)propyl]-5-methylhex-1-en-2-amine
PubChem CID178123000
Molecular FormulaC20H41NO
Molecular Weight311.55 g/mol
Exact Mass311.32
IUPAC NameN-[2,2-dimethyl-3-(2,2,4-trimethylpentoxy)propyl]-5-methylhex-1-en-2-amine
SMILESC=C(CCC(C)C)NCC(C)(C)COCC(C)(C)CC(C)C
InChIInChI=1S/C20H41NO/c1-16(2)10-11-18(5)21-13-20(8,9)15-22-14-19(6,7)12-17(3)4/h16-17,21H,5,10-15H2,1-4,6-9H3
InChIKeySSCDEVRDFZGCKZ-UHFFFAOYSA-N
XLogP5.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.55
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-[4-(5-methylhexoxy)butyl]but-1-en-2-amine
CID 142616528
ethane;N-(3-ethoxy-3-methylbutyl)-3,3-diethylpent-1-en-2-amine
CID 145216621
3-methyl-N-[3-(4-methylpentoxy)propyl]but-1-en-2-amine
CID 155455318
N-[1-(2,2-dimethylpropoxy)propan-2-yl]-3,3-dimethylhex-1-en-2-amine
CID 156259745
N-[3-(4-methylpentoxy)propyl]but-1-en-2-amine
CID 156523538
N-[3-(4-ethyl-3,3-dimethylhexoxy)-3-methylbutyl]-5-methylhept-1-en-2-amine
CID 162521988
5-(3,3-dimethylbutoxy)-5-methyl-N-propylhex-1-en-2-amine
CID 166905125
3-methyl-N-[3-(4-methylhexoxy)propyl]but-1-en-2-amine;molecular hydrogen
CID 168259297
N-[5-[2-[2-[5-(3,3-dimethylbut-1-en-2-ylamino)pentoxy]ethoxy]ethoxy]pentyl]-5,5-dimethylhex-1-en-2-amine
CID 170044808
5-(3-amino-2,2-dimethylpropoxy)-N-ethyl-4,4-dimethylpent-1-en-2-amine;ethane
CID 170597189
3,3,5,5-tetramethyl-N-[3-methyl-3-[3-methyl-3-(3-methylbutoxy)butoxy]butyl]hept-1-en-2-amine
CID 172240928
ethane;3-ethoxy-2,2,4,4-tetramethyl-N-(3-methylbut-1-en-2-yl)cyclobutan-1-amine
CID 176554641

Frequently Asked Questions

What is the IUPAC name of N-[2,2-dimethyl-3-(2,2,4-trimethylpentoxy)propyl]-5-methylhex-1-en-2-amine?
The IUPAC name of N-[2,2-dimethyl-3-(2,2,4-trimethylpentoxy)propyl]-5-methylhex-1-en-2-amine (CID 178123000) is N-[2,2-dimethyl-3-(2,2,4-trimethylpentoxy)propyl]-5-methylhex-1-en-2-amine.
What is the SMILES notation for N-[2,2-dimethyl-3-(2,2,4-trimethylpentoxy)propyl]-5-methylhex-1-en-2-amine?
The canonical SMILES for N-[2,2-dimethyl-3-(2,2,4-trimethylpentoxy)propyl]-5-methylhex-1-en-2-amine is C=C(CCC(C)C)NCC(C)(C)COCC(C)(C)CC(C)C.
What is the InChIKey of N-[2,2-dimethyl-3-(2,2,4-trimethylpentoxy)propyl]-5-methylhex-1-en-2-amine?
The InChIKey is SSCDEVRDFZGCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41NO/c1-16(2)10-11-18(5)21-13-20(8,9)15-22-14-19(6,7)12-17(3)4/h16-17,21H,5,10-15H2,1-4,6-9H3.
What are the key properties of N-[2,2-dimethyl-3-(2,2,4-trimethylpentoxy)propyl]-5-methylhex-1-en-2-amine?
N-[2,2-dimethyl-3-(2,2,4-trimethylpentoxy)propyl]-5-methylhex-1-en-2-amine has a molecular weight of 311.55 g/mol, XLogP of 5.64, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-dimethyl-3-(2,2,4-trimethylpentoxy)propyl]-5-methylhex-1-en-2-amine is sourced from PubChem (CID 178123000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).