2,2-dimethyl-1-(oxolan-3-yl)-N-propylbutan-1-amine

C13H27NO — CID 115856711

IUPAC2,2-dimethyl-1-(oxolan-3-yl)-N-propylbutan-1-amine
SMILESCCCNC(C1CCOC1)C(C)(C)CC
InChIInChI=1S/C13H27NO/c1-5-8-14-12(13(3,4)6-2)11-7-9-15-10-11/h11-12,14H,5-10H2,1-4H3
InChIKeyQFABBWIPABLNRR-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.83
Rot. Bonds6

About 2,2-dimethyl-1-(oxolan-3-yl)-N-propylbutan-1-amine

2,2-dimethyl-1-(oxolan-3-yl)-N-propylbutan-1-amine (PubChem CID 115856711) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 2,2-dimethyl-1-(oxolan-3-yl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-1-(oxolan-3-yl)-N-propylbutan-1-amine
PubChem CID115856711
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name2,2-dimethyl-1-(oxolan-3-yl)-N-propylbutan-1-amine
SMILESCCCNC(C1CCOC1)C(C)(C)CC
InChIInChI=1S/C13H27NO/c1-5-8-14-12(13(3,4)6-2)11-7-9-15-10-11/h11-12,14H,5-10H2,1-4H3
InChIKeyQFABBWIPABLNRR-UHFFFAOYSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-1-(oxan-3-yl)-N-propylbutan-1-amine
CID 107138992
2-(azepan-1-yl)-2-methyl-1-(oxolan-3-yl)-N-propylpropan-1-amine
CID 79051831
1-cycloheptyl-2,2-dimethyl-N-propylbutan-1-amine
CID 105027902
2-N,2-N,2-trimethyl-1-(oxan-3-yl)-1-N-propylbutane-1,2-diamine
CID 107136565
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2,2-dimethyl-N-propylbutan-1-amine
CID 105017232
N-[(4-ethylcyclohexyl)-(oxolan-3-yl)methyl]propan-1-amine
CID 65329706
2-methyl-1-(oxan-3-yl)-2-piperidin-1-yl-N-propylpropan-1-amine
CID 107136554
N-[2-(4-ethylphenyl)-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 65330199
1-(oxolan-3-yl)-N-propylbut-3-en-1-amine
CID 65330642
N-[2-(furan-3-yl)-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 83175448
2-ethoxy-N,2-dimethyl-1-(oxolan-3-yl)propan-1-amine
CID 116726546
N',N'-bis(2-methylpropyl)-1-(oxolan-3-yl)-N-propylethane-1,2-diamine
CID 104745066

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(oxolan-3-yl)-N-propylbutan-1-amine?
The IUPAC name of 2,2-dimethyl-1-(oxolan-3-yl)-N-propylbutan-1-amine (CID 115856711) is 2,2-dimethyl-1-(oxolan-3-yl)-N-propylbutan-1-amine.
What is the SMILES notation for 2,2-dimethyl-1-(oxolan-3-yl)-N-propylbutan-1-amine?
The canonical SMILES for 2,2-dimethyl-1-(oxolan-3-yl)-N-propylbutan-1-amine is CCCNC(C1CCOC1)C(C)(C)CC.
What is the InChIKey of 2,2-dimethyl-1-(oxolan-3-yl)-N-propylbutan-1-amine?
The InChIKey is QFABBWIPABLNRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-5-8-14-12(13(3,4)6-2)11-7-9-15-10-11/h11-12,14H,5-10H2,1-4H3.
What are the key properties of 2,2-dimethyl-1-(oxolan-3-yl)-N-propylbutan-1-amine?
2,2-dimethyl-1-(oxolan-3-yl)-N-propylbutan-1-amine has a molecular weight of 213.36 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(oxolan-3-yl)-N-propylbutan-1-amine is sourced from PubChem (CID 115856711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).