N-(3,3-dimethylbut-1-en-2-yl)-3,3-dimethylpent-1-en-2-amine

C13H25N — CID 169262464

IUPACN-(3,3-dimethylbut-1-en-2-yl)-3,3-dimethylpent-1-en-2-amine
SMILESC=C(NC(=C)C(C)(C)CC)C(C)(C)C
InChIInChI=1S/C13H25N/c1-9-13(7,8)11(3)14-10(2)12(4,5)6/h14H,2-3,9H2,1,4-8H3
InChIKeyUMWMSVSKFBKNRF-UHFFFAOYSA-N
MW195.35 g/mol
LogP4.09
Rot. Bonds4

About N-(3,3-dimethylbut-1-en-2-yl)-3,3-dimethylpent-1-en-2-amine

N-(3,3-dimethylbut-1-en-2-yl)-3,3-dimethylpent-1-en-2-amine (PubChem CID 169262464) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is N-(3,3-dimethylbut-1-en-2-yl)-3,3-dimethylpent-1-en-2-amine.

Molecular Properties

Compound NameN-(3,3-dimethylbut-1-en-2-yl)-3,3-dimethylpent-1-en-2-amine
PubChem CID169262464
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC NameN-(3,3-dimethylbut-1-en-2-yl)-3,3-dimethylpent-1-en-2-amine
SMILESC=C(NC(=C)C(C)(C)CC)C(C)(C)C
InChIInChI=1S/C13H25N/c1-9-13(7,8)11(3)14-10(2)12(4,5)6/h14H,2-3,9H2,1,4-8H3
InChIKeyUMWMSVSKFBKNRF-UHFFFAOYSA-N
XLogP4.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,3-dimethyl-N-prop-1-en-2-ylbut-1-en-2-amine
CID 126510317
2,2-dimethyl-N-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-1-en-2-yl)butanamide
CID 58159243
N-(3,3-dimethylbut-1-en-2-yl)-N'-(2-iodopropan-2-yl)-2,2-dimethylpropanimidamide
CID 175630574
2,2-dimethyl-N-(2-methylprop-2-enyl)butanamide
CID 114618641
3-ethyl-2-fluoro-3-methylpent-1-ene
CID 123981709
3-ethyl-2,3,4,4-tetramethylpent-1-ene
CID 13031508
3,3-dimethylbut-1-en-2-amine
CID 15393104
3,3,5,5-tetramethylheptan-4-one
CID 18520351
4,4-dimethyl-2-(trifluoromethyl)hex-1-en-3-one
CID 134267480
3,3-dimethyl-N-(methylideneamino)but-1-en-2-amine;ethane
CID 155734617
N-but-1-en-2-yl-2-methylbutan-2-amine
CID 147849080
N-hydroxy-2,2-dimethylbutanethioamide
CID 54156208

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbut-1-en-2-yl)-3,3-dimethylpent-1-en-2-amine?
The IUPAC name of N-(3,3-dimethylbut-1-en-2-yl)-3,3-dimethylpent-1-en-2-amine (CID 169262464) is N-(3,3-dimethylbut-1-en-2-yl)-3,3-dimethylpent-1-en-2-amine.
What is the SMILES notation for N-(3,3-dimethylbut-1-en-2-yl)-3,3-dimethylpent-1-en-2-amine?
The canonical SMILES for N-(3,3-dimethylbut-1-en-2-yl)-3,3-dimethylpent-1-en-2-amine is C=C(NC(=C)C(C)(C)CC)C(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbut-1-en-2-yl)-3,3-dimethylpent-1-en-2-amine?
The InChIKey is UMWMSVSKFBKNRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-9-13(7,8)11(3)14-10(2)12(4,5)6/h14H,2-3,9H2,1,4-8H3.
What are the key properties of N-(3,3-dimethylbut-1-en-2-yl)-3,3-dimethylpent-1-en-2-amine?
N-(3,3-dimethylbut-1-en-2-yl)-3,3-dimethylpent-1-en-2-amine has a molecular weight of 195.35 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbut-1-en-2-yl)-3,3-dimethylpent-1-en-2-amine is sourced from PubChem (CID 169262464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).