(3S)-4-(2-methylpropyl)morpholine-3-carbaldehyde

C9H17NO2 — CID 175315044

IUPAC(3S)-4-(2-methylpropyl)morpholine-3-carbaldehyde
SMILESCC(C)CN1CCOC[C@H]1C=O
InChIInChI=1S/C9H17NO2/c1-8(2)5-10-3-4-12-7-9(10)6-11/h6,8-9H,3-5,7H2,1-2H3/t9-/m1/s1
InChIKeyIMOACFWNSANPBS-SECBINFHSA-N
MW171.24 g/mol
LogP0.54
Rot. Bonds3

About (3S)-4-(2-methylpropyl)morpholine-3-carbaldehyde

(3S)-4-(2-methylpropyl)morpholine-3-carbaldehyde (PubChem CID 175315044) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is (3S)-4-(2-methylpropyl)morpholine-3-carbaldehyde.

Molecular Properties

Compound Name(3S)-4-(2-methylpropyl)morpholine-3-carbaldehyde
PubChem CID175315044
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name(3S)-4-(2-methylpropyl)morpholine-3-carbaldehyde
SMILESCC(C)CN1CCOC[C@H]1C=O
InChIInChI=1S/C9H17NO2/c1-8(2)5-10-3-4-12-7-9(10)6-11/h6,8-9H,3-5,7H2,1-2H3/t9-/m1/s1
InChIKeyIMOACFWNSANPBS-SECBINFHSA-N
XLogP0.54
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze (3S)-4-(2-methylpropyl)morpholine-3-carbaldehyde 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

ethyl 4-(3-formylmorpholin-4-yl)butanoate
CID 170430056
3-formyl-N-methylmorpholine-4-carboxamide
CID 176672537
4-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]morpholine-3-carbaldehyde
CID 167217783
3-(2-methylpropyl)-4-propan-2-ylmorpholine
CID 58279606
2-methyl-1-(2-methylpropyl)azetidin-3-one
CID 45087894
2,2-dimethyl-3-(3-methylmorpholin-4-yl)propanal
CID 62278488
4-(3-methoxypropyl)-3-(2-methylpropyl)morpholine
CID 122156874
(3R)-4-(3-methoxypropyl)-3-(2-methylpropyl)morpholine
CID 124504772
9-chloro-7-methyl-4-(2-methylpropyl)-3,5-dihydro-2H-1,4-benzoxazepine-3-carbaldehyde
CID 166553337
4-(3-bromo-2-methylpropyl)-3-ethylmorpholine
CID 64996341
4-(3-methylbutyl)morpholine-3-carbonitrile
CID 117009038
N-[2-(3-ethylmorpholin-4-yl)ethyl]-3-methylbutan-1-amine
CID 62561761

Frequently Asked Questions

What is the IUPAC name of (3S)-4-(2-methylpropyl)morpholine-3-carbaldehyde?
The IUPAC name of (3S)-4-(2-methylpropyl)morpholine-3-carbaldehyde (CID 175315044) is (3S)-4-(2-methylpropyl)morpholine-3-carbaldehyde.
What is the SMILES notation for (3S)-4-(2-methylpropyl)morpholine-3-carbaldehyde?
The canonical SMILES for (3S)-4-(2-methylpropyl)morpholine-3-carbaldehyde is CC(C)CN1CCOC[C@H]1C=O.
What is the InChIKey of (3S)-4-(2-methylpropyl)morpholine-3-carbaldehyde?
The InChIKey is IMOACFWNSANPBS-SECBINFHSA-N. The full InChI is InChI=1S/C9H17NO2/c1-8(2)5-10-3-4-12-7-9(10)6-11/h6,8-9H,3-5,7H2,1-2H3/t9-/m1/s1.
What are the key properties of (3S)-4-(2-methylpropyl)morpholine-3-carbaldehyde?
(3S)-4-(2-methylpropyl)morpholine-3-carbaldehyde has a molecular weight of 171.24 g/mol, XLogP of 0.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-(2-methylpropyl)morpholine-3-carbaldehyde is sourced from PubChem (CID 175315044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).