3-buta-2,3-dien-2-yl-N,3,5,5-tetramethylnonan-1-amine

C17H33N — CID 91229920

IUPAC3-buta-2,3-dien-2-yl-N,3,5,5-tetramethylnonan-1-amine
SMILESC=C=C(C)C(C)(CCNC)CC(C)(C)CCCC
InChIInChI=1S/C17H33N/c1-8-10-11-16(4,5)14-17(6,12-13-18-7)15(3)9-2/h18H,2,8,10-14H2,1,3-7H3
InChIKeyNHNPHJFURNVJME-UHFFFAOYSA-N
MW251.46 g/mol
LogP4.94
Rot. Bonds9

About 3-buta-2,3-dien-2-yl-N,3,5,5-tetramethylnonan-1-amine

3-buta-2,3-dien-2-yl-N,3,5,5-tetramethylnonan-1-amine (PubChem CID 91229920) has the molecular formula C17H33N and a molecular weight of 251.46 g/mol. Its IUPAC name is 3-buta-2,3-dien-2-yl-N,3,5,5-tetramethylnonan-1-amine.

Molecular Properties

Compound Name3-buta-2,3-dien-2-yl-N,3,5,5-tetramethylnonan-1-amine
PubChem CID91229920
Molecular FormulaC17H33N
Molecular Weight251.46 g/mol
Exact Mass251.26
IUPAC Name3-buta-2,3-dien-2-yl-N,3,5,5-tetramethylnonan-1-amine
SMILESC=C=C(C)C(C)(CCNC)CC(C)(C)CCCC
InChIInChI=1S/C17H33N/c1-8-10-11-16(4,5)14-17(6,12-13-18-7)15(3)9-2/h18H,2,8,10-14H2,1,3-7H3
InChIKeyNHNPHJFURNVJME-UHFFFAOYSA-N
XLogP4.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.46
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 81022297
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CID 81023479
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CID 134182050
2,4,4-trimethyl-N-propyloctan-2-amine
CID 166814463
3,3-difluoro-N,5,5-trimethyloctan-1-amine
CID 123315730
3,4-dimethylundeca-1,2-dien-4-ol
CID 11106287
N,6,6-trimethylnonan-1-amine
CID 118650446
N,3,3,5-tetramethylhex-5-en-1-amine
CID 81023086
3-methyl-1-(methylamino)pentadecane-3-sulfonic acid
CID 141244071
2,2,4,4-tetramethyloctanamide
CID 89265851
1-N,3-dimethylhenicosane-1,3-diamine
CID 175200070
N,2,2-trimethyloctan-1-amine
CID 62723717

Frequently Asked Questions

What is the IUPAC name of 3-buta-2,3-dien-2-yl-N,3,5,5-tetramethylnonan-1-amine?
The IUPAC name of 3-buta-2,3-dien-2-yl-N,3,5,5-tetramethylnonan-1-amine (CID 91229920) is 3-buta-2,3-dien-2-yl-N,3,5,5-tetramethylnonan-1-amine.
What is the SMILES notation for 3-buta-2,3-dien-2-yl-N,3,5,5-tetramethylnonan-1-amine?
The canonical SMILES for 3-buta-2,3-dien-2-yl-N,3,5,5-tetramethylnonan-1-amine is C=C=C(C)C(C)(CCNC)CC(C)(C)CCCC.
What is the InChIKey of 3-buta-2,3-dien-2-yl-N,3,5,5-tetramethylnonan-1-amine?
The InChIKey is NHNPHJFURNVJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N/c1-8-10-11-16(4,5)14-17(6,12-13-18-7)15(3)9-2/h18H,2,8,10-14H2,1,3-7H3.
What are the key properties of 3-buta-2,3-dien-2-yl-N,3,5,5-tetramethylnonan-1-amine?
3-buta-2,3-dien-2-yl-N,3,5,5-tetramethylnonan-1-amine has a molecular weight of 251.46 g/mol, XLogP of 4.94, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-buta-2,3-dien-2-yl-N,3,5,5-tetramethylnonan-1-amine is sourced from PubChem (CID 91229920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).