4-tert-butyl-1-(oxolan-2-ylmethyl)cycloheptan-1-amine

C16H31NO — CID 65090010

IUPAC4-tert-butyl-1-(oxolan-2-ylmethyl)cycloheptan-1-amine
SMILESCC(C)(C)C1CCCC(N)(CC2CCCO2)CC1
InChIInChI=1S/C16H31NO/c1-15(2,3)13-6-4-9-16(17,10-8-13)12-14-7-5-11-18-14/h13-14H,4-12,17H2,1-3H3
InChIKeyQIAWZRVXCRZBTJ-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.88
Rot. Bonds2

About 4-tert-butyl-1-(oxolan-2-ylmethyl)cycloheptan-1-amine

4-tert-butyl-1-(oxolan-2-ylmethyl)cycloheptan-1-amine (PubChem CID 65090010) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 4-tert-butyl-1-(oxolan-2-ylmethyl)cycloheptan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-1-(oxolan-2-ylmethyl)cycloheptan-1-amine
PubChem CID65090010
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name4-tert-butyl-1-(oxolan-2-ylmethyl)cycloheptan-1-amine
SMILESCC(C)(C)C1CCCC(N)(CC2CCCO2)CC1
InChIInChI=1S/C16H31NO/c1-15(2,3)13-6-4-9-16(17,10-8-13)12-14-7-5-11-18-14/h13-14H,4-12,17H2,1-3H3
InChIKeyQIAWZRVXCRZBTJ-UHFFFAOYSA-N
XLogP3.88
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butyl-1-(oxolan-2-ylmethyl)cyclohexan-1-amine
CID 55096392
4-methyl-1-(oxolan-2-ylmethyl)cycloheptan-1-amine
CID 65081188
2-[[4-tert-butyl-1-(chloromethyl)cyclohexyl]methyl]oxolane
CID 66033798
4-amino-4-(oxolan-2-ylmethyl)cyclohexan-1-ol
CID 126979079
1-(oxolan-2-ylmethyl)-4-phenylcyclohexan-1-amine
CID 55096105
[4-tert-butyl-1-[2-(oxolan-2-yl)ethoxy]cyclohexyl]methanamine
CID 65158713
4-tert-butyl-1-ethylcyclohexan-1-amine
CID 43809409
2-[[4-tert-butyl-1-(iodomethyl)cyclohexyl]oxymethyl]oxolane
CID 114773000
1-[2-(oxolan-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 65166942
4-tert-butyl-1-[2-(oxolan-2-yl)ethyl]cyclohexane-1-carboxylic acid
CID 65161890
1-[(4-bromothiophen-2-yl)methyl]-4-tert-butylcycloheptan-1-amine
CID 65089867
1-[3-(oxolan-2-yl)propyl]-4-propan-2-ylcycloheptan-1-amine
CID 65167150

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-(oxolan-2-ylmethyl)cycloheptan-1-amine?
The IUPAC name of 4-tert-butyl-1-(oxolan-2-ylmethyl)cycloheptan-1-amine (CID 65090010) is 4-tert-butyl-1-(oxolan-2-ylmethyl)cycloheptan-1-amine.
What is the SMILES notation for 4-tert-butyl-1-(oxolan-2-ylmethyl)cycloheptan-1-amine?
The canonical SMILES for 4-tert-butyl-1-(oxolan-2-ylmethyl)cycloheptan-1-amine is CC(C)(C)C1CCCC(N)(CC2CCCO2)CC1.
What is the InChIKey of 4-tert-butyl-1-(oxolan-2-ylmethyl)cycloheptan-1-amine?
The InChIKey is QIAWZRVXCRZBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-15(2,3)13-6-4-9-16(17,10-8-13)12-14-7-5-11-18-14/h13-14H,4-12,17H2,1-3H3.
What are the key properties of 4-tert-butyl-1-(oxolan-2-ylmethyl)cycloheptan-1-amine?
4-tert-butyl-1-(oxolan-2-ylmethyl)cycloheptan-1-amine has a molecular weight of 253.43 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-(oxolan-2-ylmethyl)cycloheptan-1-amine is sourced from PubChem (CID 65090010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).