1-(2,2-dimethylcyclopropyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine

C16H31NO — CID 107004583

IUPAC1-(2,2-dimethylcyclopropyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
SMILESCCCNC(CCCC1CCCO1)C1CC1(C)C
InChIInChI=1S/C16H31NO/c1-4-10-17-15(14-12-16(14,2)3)9-5-7-13-8-6-11-18-13/h13-15,17H,4-12H2,1-3H3
InChIKeyKUGHFTUAARUAPJ-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.75
Rot. Bonds8

About 1-(2,2-dimethylcyclopropyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine

1-(2,2-dimethylcyclopropyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine (PubChem CID 107004583) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclopropyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(2,2-dimethylcyclopropyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
PubChem CID107004583
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name1-(2,2-dimethylcyclopropyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
SMILESCCCNC(CCCC1CCCO1)C1CC1(C)C
InChIInChI=1S/C16H31NO/c1-4-10-17-15(14-12-16(14,2)3)9-5-7-13-8-6-11-18-13/h13-15,17H,4-12H2,1-3H3
InChIKeyKUGHFTUAARUAPJ-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-bis(oxolan-2-yl)-N-propylbutan-1-amine
CID 65328878
1-(oxan-3-yl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 65333769
1-(5-methyloxolan-2-yl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 104993230
1-(2,2-dimethylcyclopropyl)-N-propylundecan-1-amine
CID 107004336
6-(oxolan-2-yl)-3-propan-2-yl-N-propylhexan-2-amine
CID 65162085
1-(1-ethoxycyclopentyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 116762435
3-cyclopropyl-1-(2,2-dimethylcyclopropyl)-N-propylpropan-1-amine
CID 107004602
1-cyclopentyl-5-(oxolan-2-yl)-N-propylpentan-2-amine
CID 104993245
6-(oxolan-2-yl)-1-propoxy-N-propylhexan-3-amine
CID 105156636
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 115998319
5-(oxolan-2-yl)-1-propoxy-N-propylpentan-2-amine
CID 65164347
1-(oxolan-2-yl)-N-propyloctan-3-amine
CID 115837005

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclopropyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine?
The IUPAC name of 1-(2,2-dimethylcyclopropyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine (CID 107004583) is 1-(2,2-dimethylcyclopropyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine.
What is the SMILES notation for 1-(2,2-dimethylcyclopropyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine?
The canonical SMILES for 1-(2,2-dimethylcyclopropyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine is CCCNC(CCCC1CCCO1)C1CC1(C)C.
What is the InChIKey of 1-(2,2-dimethylcyclopropyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine?
The InChIKey is KUGHFTUAARUAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-4-10-17-15(14-12-16(14,2)3)9-5-7-13-8-6-11-18-13/h13-15,17H,4-12H2,1-3H3.
What are the key properties of 1-(2,2-dimethylcyclopropyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine?
1-(2,2-dimethylcyclopropyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine has a molecular weight of 253.43 g/mol, XLogP of 3.75, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylcyclopropyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine is sourced from PubChem (CID 107004583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).