(3R)-3-(3-methylbutyl)-N-propan-2-yloxan-3-amine

C13H27NO — CID 163552067

IUPAC(3R)-3-(3-methylbutyl)-N-propan-2-yloxan-3-amine
SMILESCC(C)CC[C@@]1(NC(C)C)CCCOC1
InChIInChI=1S/C13H27NO/c1-11(2)6-8-13(14-12(3)4)7-5-9-15-10-13/h11-12,14H,5-10H2,1-4H3/t13-/m0/s1
InChIKeyYQQMPVZMUBPSAF-ZDUSSCGKSA-N
MW213.37 g/mol
LogP2.97
Rot. Bonds5

About (3R)-3-(3-methylbutyl)-N-propan-2-yloxan-3-amine

(3R)-3-(3-methylbutyl)-N-propan-2-yloxan-3-amine (PubChem CID 163552067) has the molecular formula C13H27NO and a molecular weight of 213.37 g/mol. Its IUPAC name is (3R)-3-(3-methylbutyl)-N-propan-2-yloxan-3-amine.

Molecular Properties

Compound Name(3R)-3-(3-methylbutyl)-N-propan-2-yloxan-3-amine
PubChem CID163552067
Molecular FormulaC13H27NO
Molecular Weight213.37 g/mol
Exact Mass213.21
IUPAC Name(3R)-3-(3-methylbutyl)-N-propan-2-yloxan-3-amine
SMILESCC(C)CC[C@@]1(NC(C)C)CCCOC1
InChIInChI=1S/C13H27NO/c1-11(2)6-8-13(14-12(3)4)7-5-9-15-10-13/h11-12,14H,5-10H2,1-4H3/t13-/m0/s1
InChIKeyYQQMPVZMUBPSAF-ZDUSSCGKSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-methylbutyl)oxepan-4-amine
CID 65077222
3-(aminomethyl)-N,N-bis(3-methylbutyl)oxan-3-amine
CID 107869481
1-(morpholin-4-ylmethyl)-N-propan-2-ylcyclohexan-1-amine
CID 146476199
2-[3-(2-methylpropyl)oxan-3-yl]ethanamine
CID 83817501
N-methyl-1-(3-propan-2-yloxan-3-yl)methanamine
CID 103743906
3-pentan-2-yloxan-3-amine
CID 107892383
N-methyl-1-[4-(3-methylbutyl)oxan-4-yl]methanamine
CID 62905014
1-(2-methoxyethyl)-N-propan-2-ylcyclopentan-1-amine
CID 115909664
1-(chloromethyl)-N-propan-2-ylcyclohexan-1-amine
CID 65024608
4-[[1-(3-methylbutyl)cyclopropyl]methyl]-1,4-oxazepane
CID 176594264
N-[[3-(aminomethyl)oxan-3-yl]methyl]-N,2-dimethylpropan-1-amine
CID 63740832
3-(bromomethyl)-3-(4-methylpentyl)oxolane
CID 83169759

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3-methylbutyl)-N-propan-2-yloxan-3-amine?
The IUPAC name of (3R)-3-(3-methylbutyl)-N-propan-2-yloxan-3-amine (CID 163552067) is (3R)-3-(3-methylbutyl)-N-propan-2-yloxan-3-amine.
What is the SMILES notation for (3R)-3-(3-methylbutyl)-N-propan-2-yloxan-3-amine?
The canonical SMILES for (3R)-3-(3-methylbutyl)-N-propan-2-yloxan-3-amine is CC(C)CC[C@@]1(NC(C)C)CCCOC1.
What is the InChIKey of (3R)-3-(3-methylbutyl)-N-propan-2-yloxan-3-amine?
The InChIKey is YQQMPVZMUBPSAF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H27NO/c1-11(2)6-8-13(14-12(3)4)7-5-9-15-10-13/h11-12,14H,5-10H2,1-4H3/t13-/m0/s1.
What are the key properties of (3R)-3-(3-methylbutyl)-N-propan-2-yloxan-3-amine?
(3R)-3-(3-methylbutyl)-N-propan-2-yloxan-3-amine has a molecular weight of 213.37 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3-methylbutyl)-N-propan-2-yloxan-3-amine is sourced from PubChem (CID 163552067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).