N,5,5-trimethyl-N-propan-2-ylhex-1-en-2-amine

C12H25N — CID 126704307

IUPACN,5,5-trimethyl-N-propan-2-ylhex-1-en-2-amine
SMILESC=C(CCC(C)(C)C)N(C)C(C)C
InChIInChI=1S/C12H25N/c1-10(2)13(7)11(3)8-9-12(4,5)6/h10H,3,8-9H2,1-2,4-7H3
InChIKeyUPGVUIZDQXPOBG-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.67
Rot. Bonds4

About N,5,5-trimethyl-N-propan-2-ylhex-1-en-2-amine

N,5,5-trimethyl-N-propan-2-ylhex-1-en-2-amine (PubChem CID 126704307) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is N,5,5-trimethyl-N-propan-2-ylhex-1-en-2-amine.

Molecular Properties

Compound NameN,5,5-trimethyl-N-propan-2-ylhex-1-en-2-amine
PubChem CID126704307
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC NameN,5,5-trimethyl-N-propan-2-ylhex-1-en-2-amine
SMILESC=C(CCC(C)(C)C)N(C)C(C)C
InChIInChI=1S/C12H25N/c1-10(2)13(7)11(3)8-9-12(4,5)6/h10H,3,8-9H2,1-2,4-7H3
InChIKeyUPGVUIZDQXPOBG-UHFFFAOYSA-N
XLogP3.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6,6-dimethyl-3-methylideneheptan-2-amine
CID 145153539
2-fluoro-5,5-dimethylhex-1-ene
CID 129082369
1-N'-butan-2-yl-1-N,1-N'-dimethyl-1-N-propan-2-ylethene-1,1-diamine
CID 170109208
bis(N,N-dimethylmethanamine);5,5-dimethyl-2-methylidenehexanoic acid;hydrochloride
CID 173263480
3,3,3-trifluoro-N-methyl-N-propan-2-ylprop-1-en-2-amine
CID 167040136
6,6-dimethyl-3-methylidenehept-1-ene
CID 153290519
(3S)-3-amino-2,7,7-trimethyloctan-4-one
CID 89201643
2-(dimethylamino)-2,6,6-trimethylheptan-3-one
CID 79047134
2,2,8,8-tetramethylnonan-5-imine
CID 158057616
2,7,7-trimethyloctan-4-one
CID 62619842
5,5-dimethyl-2-methylidenehexanamide
CID 118453407
N,3-dimethyl-N-propan-2-ylhexa-1,5-dien-2-amine
CID 123847432

Frequently Asked Questions

What is the IUPAC name of N,5,5-trimethyl-N-propan-2-ylhex-1-en-2-amine?
The IUPAC name of N,5,5-trimethyl-N-propan-2-ylhex-1-en-2-amine (CID 126704307) is N,5,5-trimethyl-N-propan-2-ylhex-1-en-2-amine.
What is the SMILES notation for N,5,5-trimethyl-N-propan-2-ylhex-1-en-2-amine?
The canonical SMILES for N,5,5-trimethyl-N-propan-2-ylhex-1-en-2-amine is C=C(CCC(C)(C)C)N(C)C(C)C.
What is the InChIKey of N,5,5-trimethyl-N-propan-2-ylhex-1-en-2-amine?
The InChIKey is UPGVUIZDQXPOBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-10(2)13(7)11(3)8-9-12(4,5)6/h10H,3,8-9H2,1-2,4-7H3.
What are the key properties of N,5,5-trimethyl-N-propan-2-ylhex-1-en-2-amine?
N,5,5-trimethyl-N-propan-2-ylhex-1-en-2-amine has a molecular weight of 183.34 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,5,5-trimethyl-N-propan-2-ylhex-1-en-2-amine is sourced from PubChem (CID 126704307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).