(3R)-3-methoxy-N-methylheptan-4-amine

C9H21NO — CID 89274761

IUPAC(3R)-3-methoxy-N-methylheptan-4-amine
SMILESCCCC(NC)[C@@H](CC)OC
InChIInChI=1S/C9H21NO/c1-5-7-8(10-3)9(6-2)11-4/h8-10H,5-7H2,1-4H3/t8?,9-/m1/s1
InChIKeyLNRHVRVODSUTQS-YGPZHTELSA-N
MW159.27 g/mol
LogP1.80
Rot. Bonds6

About (3R)-3-methoxy-N-methylheptan-4-amine

(3R)-3-methoxy-N-methylheptan-4-amine (PubChem CID 89274761) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is (3R)-3-methoxy-N-methylheptan-4-amine.

Molecular Properties

Compound Name(3R)-3-methoxy-N-methylheptan-4-amine
PubChem CID89274761
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name(3R)-3-methoxy-N-methylheptan-4-amine
SMILESCCCC(NC)[C@@H](CC)OC
InChIInChI=1S/C9H21NO/c1-5-7-8(10-3)9(6-2)11-4/h8-10H,5-7H2,1-4H3/t8?,9-/m1/s1
InChIKeyLNRHVRVODSUTQS-YGPZHTELSA-N
XLogP1.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-methoxy-N-methylheptan-4-amine?
The IUPAC name of (3R)-3-methoxy-N-methylheptan-4-amine (CID 89274761) is (3R)-3-methoxy-N-methylheptan-4-amine.
What is the SMILES notation for (3R)-3-methoxy-N-methylheptan-4-amine?
The canonical SMILES for (3R)-3-methoxy-N-methylheptan-4-amine is CCCC(NC)[C@@H](CC)OC.
What is the InChIKey of (3R)-3-methoxy-N-methylheptan-4-amine?
The InChIKey is LNRHVRVODSUTQS-YGPZHTELSA-N. The full InChI is InChI=1S/C9H21NO/c1-5-7-8(10-3)9(6-2)11-4/h8-10H,5-7H2,1-4H3/t8?,9-/m1/s1.
What are the key properties of (3R)-3-methoxy-N-methylheptan-4-amine?
(3R)-3-methoxy-N-methylheptan-4-amine has a molecular weight of 159.27 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methoxy-N-methylheptan-4-amine is sourced from PubChem (CID 89274761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).