N,3,3-trimethyl-5-(oxolan-2-yl)pentan-1-amine

C12H25NO — CID 81022159

IUPACN,3,3-trimethyl-5-(oxolan-2-yl)pentan-1-amine
SMILESCNCCC(C)(C)CCC1CCCO1
InChIInChI=1S/C12H25NO/c1-12(2,8-9-13-3)7-6-11-5-4-10-14-11/h11,13H,4-10H2,1-3H3
InChIKeySRTNPAKRDITPMV-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.58
Rot. Bonds6

About N,3,3-trimethyl-5-(oxolan-2-yl)pentan-1-amine

N,3,3-trimethyl-5-(oxolan-2-yl)pentan-1-amine (PubChem CID 81022159) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is N,3,3-trimethyl-5-(oxolan-2-yl)pentan-1-amine.

Molecular Properties

Compound NameN,3,3-trimethyl-5-(oxolan-2-yl)pentan-1-amine
PubChem CID81022159
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC NameN,3,3-trimethyl-5-(oxolan-2-yl)pentan-1-amine
SMILESCNCCC(C)(C)CCC1CCCO1
InChIInChI=1S/C12H25NO/c1-12(2,8-9-13-3)7-6-11-5-4-10-14-11/h11,13H,4-10H2,1-3H3
InChIKeySRTNPAKRDITPMV-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromo-3,3-dimethylhexyl)oxolane
CID 65165426
1-(methylamino)-5-(oxolan-2-yl)pentan-3-one
CID 116561140
N-methyl-1-[(2R)-oxolan-2-yl]methanamine;molecular hydrogen
CID 142806903
1-(tert-butylamino)-2-methyl-4-(oxolan-2-yl)butan-2-ol
CID 66037038
N-tert-butyl-2,2-diethyl-4-(oxolan-2-yl)butan-1-amine
CID 65164933
N,2-diethyl-2-methyl-4-(oxolan-2-yl)butan-1-amine
CID 65165209
3,3-dimethyl-N-[2-(oxolan-2-yl)ethyl]butan-2-amine
CID 115708972
ethane;N-methyl-1-(oxolan-2-yl)methanamine
CID 91079378
2-methyl-2-[2-(oxolan-2-yl)ethyl]-N-propylbut-3-en-1-amine
CID 102640931
2-cyclopropyl-2-methyl-4-(oxolan-2-yl)-N-propan-2-ylbutan-1-amine
CID 83159333
N-(2-methoxyethyl)-2,2-dimethyl-5-(oxolan-2-yl)pentan-1-amine
CID 65165816
1-(tert-butylamino)-3-methyl-6-(oxolan-2-yl)hexan-3-ol
CID 66001469

Frequently Asked Questions

What is the IUPAC name of N,3,3-trimethyl-5-(oxolan-2-yl)pentan-1-amine?
The IUPAC name of N,3,3-trimethyl-5-(oxolan-2-yl)pentan-1-amine (CID 81022159) is N,3,3-trimethyl-5-(oxolan-2-yl)pentan-1-amine.
What is the SMILES notation for N,3,3-trimethyl-5-(oxolan-2-yl)pentan-1-amine?
The canonical SMILES for N,3,3-trimethyl-5-(oxolan-2-yl)pentan-1-amine is CNCCC(C)(C)CCC1CCCO1.
What is the InChIKey of N,3,3-trimethyl-5-(oxolan-2-yl)pentan-1-amine?
The InChIKey is SRTNPAKRDITPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-12(2,8-9-13-3)7-6-11-5-4-10-14-11/h11,13H,4-10H2,1-3H3.
What are the key properties of N,3,3-trimethyl-5-(oxolan-2-yl)pentan-1-amine?
N,3,3-trimethyl-5-(oxolan-2-yl)pentan-1-amine has a molecular weight of 199.34 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,3-trimethyl-5-(oxolan-2-yl)pentan-1-amine is sourced from PubChem (CID 81022159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).