N-[(2-tert-butyloxolan-3-yl)methyl]-2-methylbutan-1-amine

C14H29NO — CID 115887579

IUPACN-[(2-tert-butyloxolan-3-yl)methyl]-2-methylbutan-1-amine
SMILESCCC(C)CNCC1CCOC1C(C)(C)C
InChIInChI=1S/C14H29NO/c1-6-11(2)9-15-10-12-7-8-16-13(12)14(3,4)5/h11-13,15H,6-10H2,1-5H3
InChIKeyFZNSNXVDMRCDAK-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.07
Rot. Bonds5

About N-[(2-tert-butyloxolan-3-yl)methyl]-2-methylbutan-1-amine

N-[(2-tert-butyloxolan-3-yl)methyl]-2-methylbutan-1-amine (PubChem CID 115887579) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is N-[(2-tert-butyloxolan-3-yl)methyl]-2-methylbutan-1-amine.

Molecular Properties

Compound NameN-[(2-tert-butyloxolan-3-yl)methyl]-2-methylbutan-1-amine
PubChem CID115887579
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC NameN-[(2-tert-butyloxolan-3-yl)methyl]-2-methylbutan-1-amine
SMILESCCC(C)CNCC1CCOC1C(C)(C)C
InChIInChI=1S/C14H29NO/c1-6-11(2)9-15-10-12-7-8-16-13(12)14(3,4)5/h11-13,15H,6-10H2,1-5H3
InChIKeyFZNSNXVDMRCDAK-UHFFFAOYSA-N
XLogP3.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2-tert-butyloxolan-3-yl)methyl]-2-methylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-N-[(2-propan-2-yloxolan-3-yl)methyl]butan-1-amine
CID 115887817
N-[(2-tert-butyloxolan-3-yl)methyl]-2-methylpropan-2-amine
CID 79368939
2-methyl-N-(oxan-4-ylmethyl)butan-1-amine
CID 62694542
1-[(2S,3R)-2-tert-butyloxolan-3-yl]-N-(pyridin-4-ylmethyl)methanamine
CID 129005255
(2S)-N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-4,4,4-trifluorobutan-2-amine
CID 129340353
2-methyl-N-(oxolan-3-ylmethyl)butan-1-amine
CID 60919551
N-(cyclopentylmethyl)-2-methylbutan-1-amine
CID 43370775
1-[(2S,3R)-2-tert-butyloxolan-3-yl]-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]methanamine
CID 129001955
1-[(2S,3R)-2-tert-butyloxolan-3-yl]-N-(thiadiazol-4-ylmethyl)methanamine
CID 129002634
1-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-3-[(1S)-1-[(2S)-oxolan-2-yl]propyl]urea
CID 99830495
1-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-3-[(2R,3S)-2-methyloxolan-3-yl]urea
CID 129492497
2-methyl-N-[(4-methylmorpholin-2-yl)methyl]butan-1-amine
CID 75356165

Frequently Asked Questions

What is the IUPAC name of N-[(2-tert-butyloxolan-3-yl)methyl]-2-methylbutan-1-amine?
The IUPAC name of N-[(2-tert-butyloxolan-3-yl)methyl]-2-methylbutan-1-amine (CID 115887579) is N-[(2-tert-butyloxolan-3-yl)methyl]-2-methylbutan-1-amine.
What is the SMILES notation for N-[(2-tert-butyloxolan-3-yl)methyl]-2-methylbutan-1-amine?
The canonical SMILES for N-[(2-tert-butyloxolan-3-yl)methyl]-2-methylbutan-1-amine is CCC(C)CNCC1CCOC1C(C)(C)C.
What is the InChIKey of N-[(2-tert-butyloxolan-3-yl)methyl]-2-methylbutan-1-amine?
The InChIKey is FZNSNXVDMRCDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-6-11(2)9-15-10-12-7-8-16-13(12)14(3,4)5/h11-13,15H,6-10H2,1-5H3.
What are the key properties of N-[(2-tert-butyloxolan-3-yl)methyl]-2-methylbutan-1-amine?
N-[(2-tert-butyloxolan-3-yl)methyl]-2-methylbutan-1-amine has a molecular weight of 227.39 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-tert-butyloxolan-3-yl)methyl]-2-methylbutan-1-amine is sourced from PubChem (CID 115887579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).