(3R)-1-cyclopropyloxy-5-methylhexan-3-amine

C10H21NO — CID 177282057

IUPAC(3R)-1-cyclopropyloxy-5-methylhexan-3-amine
SMILESCC(C)C[C@@H](N)CCOC1CC1
InChIInChI=1S/C10H21NO/c1-8(2)7-9(11)5-6-12-10-3-4-10/h8-10H,3-7,11H2,1-2H3/t9-/m0/s1
InChIKeyVOJDLULKYXLFLL-VIFPVBQESA-N
MW171.28 g/mol
LogP1.93
Rot. Bonds6

About (3R)-1-cyclopropyloxy-5-methylhexan-3-amine

(3R)-1-cyclopropyloxy-5-methylhexan-3-amine (PubChem CID 177282057) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is (3R)-1-cyclopropyloxy-5-methylhexan-3-amine.

Molecular Properties

Compound Name(3R)-1-cyclopropyloxy-5-methylhexan-3-amine
PubChem CID177282057
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name(3R)-1-cyclopropyloxy-5-methylhexan-3-amine
SMILESCC(C)C[C@@H](N)CCOC1CC1
InChIInChI=1S/C10H21NO/c1-8(2)7-9(11)5-6-12-10-3-4-10/h8-10H,3-7,11H2,1-2H3/t9-/m0/s1
InChIKeyVOJDLULKYXLFLL-VIFPVBQESA-N
XLogP1.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-(1-fluorocyclopropyl)oxy-5-methylhexan-3-amine
CID 177282055
1-(3,3-Dimethyloxiran-2-yl)-3-methylbutan-1-amine
CID 53805989
(3R)-1-methoxy-5-methylhexan-3-amine
CID 57790336
(3R)-1-ethoxy-5-methylhexan-3-amine
CID 57791000
(3S)-1-ethoxy-5-methylhexan-3-amine
CID 57791061
(3S)-1-methoxy-5-methylhexan-3-amine
CID 57791170
1-Methoxy-5-methylhexan-3-amine
CID 61412922
3-Cyclopropyl-3-pentoxypropan-1-amine
CID 70501873
3-Hexoxy-4-methylpentan-2-amine
CID 91050977
2-Methoxy-6-methylheptan-4-amine
CID 104170586
(4S,5S)-2,2,5-trimethyloxan-4-amine
CID 118041492
(4R,5R)-2,2,5-trimethyloxan-4-amine
CID 118041497

Frequently Asked Questions

What is the IUPAC name of (3R)-1-cyclopropyloxy-5-methylhexan-3-amine?
The IUPAC name of (3R)-1-cyclopropyloxy-5-methylhexan-3-amine (CID 177282057) is (3R)-1-cyclopropyloxy-5-methylhexan-3-amine.
What is the SMILES notation for (3R)-1-cyclopropyloxy-5-methylhexan-3-amine?
The canonical SMILES for (3R)-1-cyclopropyloxy-5-methylhexan-3-amine is CC(C)C[C@@H](N)CCOC1CC1.
What is the InChIKey of (3R)-1-cyclopropyloxy-5-methylhexan-3-amine?
The InChIKey is VOJDLULKYXLFLL-VIFPVBQESA-N. The full InChI is InChI=1S/C10H21NO/c1-8(2)7-9(11)5-6-12-10-3-4-10/h8-10H,3-7,11H2,1-2H3/t9-/m0/s1.
What are the key properties of (3R)-1-cyclopropyloxy-5-methylhexan-3-amine?
(3R)-1-cyclopropyloxy-5-methylhexan-3-amine has a molecular weight of 171.28 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-cyclopropyloxy-5-methylhexan-3-amine is sourced from PubChem (CID 177282057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).