4-methyl-6-propan-2-yloxy-N-propylhexan-3-amine

C13H29NO — CID 63560225

IUPAC4-methyl-6-propan-2-yloxy-N-propylhexan-3-amine
SMILESCCCNC(CC)C(C)CCOC(C)C
InChIInChI=1S/C13H29NO/c1-6-9-14-13(7-2)12(5)8-10-15-11(3)4/h11-14H,6-10H2,1-5H3
InChIKeyYIUJZGURFLEWCZ-UHFFFAOYSA-N
MW215.38 g/mol
LogP3.22
Rot. Bonds9

About 4-methyl-6-propan-2-yloxy-N-propylhexan-3-amine

4-methyl-6-propan-2-yloxy-N-propylhexan-3-amine (PubChem CID 63560225) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is 4-methyl-6-propan-2-yloxy-N-propylhexan-3-amine.

Molecular Properties

Compound Name4-methyl-6-propan-2-yloxy-N-propylhexan-3-amine
PubChem CID63560225
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC Name4-methyl-6-propan-2-yloxy-N-propylhexan-3-amine
SMILESCCCNC(CC)C(C)CCOC(C)C
InChIInChI=1S/C13H29NO/c1-6-9-14-13(7-2)12(5)8-10-15-11(3)4/h11-14H,6-10H2,1-5H3
InChIKeyYIUJZGURFLEWCZ-UHFFFAOYSA-N
XLogP3.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-7-phenoxy-N-propylheptan-3-amine
CID 63560800
N-ethyl-6-methoxy-4-methylhexan-3-amine
CID 63561367
6-methoxy-1-(2-methoxyethoxy)-4-methyl-N-propylhexan-3-amine
CID 102928662
4-methyl-7-methylsulfonyl-N-propylheptan-3-amine
CID 63562509
3-methyl-N-propylhexadecan-4-amine
CID 63717053
2-methyl-1-phenyl-N-propylpentan-3-amine
CID 63561010
3-methyl-1-methylsulfanyl-N-propylpentan-2-amine
CID 79445388
3,6-dimethyl-N-propyloctan-4-amine
CID 63716674
3-methoxy-1-propan-2-yloxy-N-propylbutan-2-amine
CID 79617443
1,5-dimethoxy-2-methyl-N-propylpentan-3-amine
CID 165348363
4-(2-propan-2-yloxyethoxy)-2-(propylamino)butanoic acid
CID 55144727
4-ethyl-5-methyl-N-propylhexan-3-amine
CID 79307988

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-propan-2-yloxy-N-propylhexan-3-amine?
The IUPAC name of 4-methyl-6-propan-2-yloxy-N-propylhexan-3-amine (CID 63560225) is 4-methyl-6-propan-2-yloxy-N-propylhexan-3-amine.
What is the SMILES notation for 4-methyl-6-propan-2-yloxy-N-propylhexan-3-amine?
The canonical SMILES for 4-methyl-6-propan-2-yloxy-N-propylhexan-3-amine is CCCNC(CC)C(C)CCOC(C)C.
What is the InChIKey of 4-methyl-6-propan-2-yloxy-N-propylhexan-3-amine?
The InChIKey is YIUJZGURFLEWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO/c1-6-9-14-13(7-2)12(5)8-10-15-11(3)4/h11-14H,6-10H2,1-5H3.
What are the key properties of 4-methyl-6-propan-2-yloxy-N-propylhexan-3-amine?
4-methyl-6-propan-2-yloxy-N-propylhexan-3-amine has a molecular weight of 215.38 g/mol, XLogP of 3.22, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-propan-2-yloxy-N-propylhexan-3-amine is sourced from PubChem (CID 63560225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).