(2S)-2-N-[(2-methyloxolan-3-yl)methyl]propane-1,2-diamine

C9H20N2O — CID 104867499

IUPAC(2S)-2-N-[(2-methyloxolan-3-yl)methyl]propane-1,2-diamine
SMILESCC1OCCC1CN[C@@H](C)CN
InChIInChI=1S/C9H20N2O/c1-7(5-10)11-6-9-3-4-12-8(9)2/h7-9,11H,3-6,10H2,1-2H3/t7-,8?,9?/m0/s1
InChIKeyHWQRYIJZPBIUTP-UEJVZZJDSA-N
MW172.27 g/mol
LogP0.35
Rot. Bonds4

About (2S)-2-N-[(2-methyloxolan-3-yl)methyl]propane-1,2-diamine

(2S)-2-N-[(2-methyloxolan-3-yl)methyl]propane-1,2-diamine (PubChem CID 104867499) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is (2S)-2-N-[(2-methyloxolan-3-yl)methyl]propane-1,2-diamine.

Molecular Properties

Compound Name(2S)-2-N-[(2-methyloxolan-3-yl)methyl]propane-1,2-diamine
PubChem CID104867499
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name(2S)-2-N-[(2-methyloxolan-3-yl)methyl]propane-1,2-diamine
SMILESCC1OCCC1CN[C@@H](C)CN
InChIInChI=1S/C9H20N2O/c1-7(5-10)11-6-9-3-4-12-8(9)2/h7-9,11H,3-6,10H2,1-2H3/t7-,8?,9?/m0/s1
InChIKeyHWQRYIJZPBIUTP-UEJVZZJDSA-N
XLogP0.35
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-N-[(2-methyloxolan-3-yl)methyl]propane-1,2-diamine 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

N-[(2-methyloxolan-3-yl)methyl]butan-2-amine
CID 79760229
1-N-ethyl-1-N-methyl-2-N-[(2-methyloxolan-3-yl)methyl]propane-1,2-diamine
CID 103110064
(2R)-2-N-[(3-methyloxolan-2-yl)methyl]propane-1,2-diamine
CID 104868012
N-butyl-2-[(2-methyloxolan-3-yl)methylamino]propanamide
CID 114105488
1-ethoxy-N-[(2-propan-2-yloxolan-3-yl)methyl]propan-2-amine
CID 115726718
N-[(2-methyloxolan-3-yl)methyl]-2-propan-2-ylcyclohexan-1-amine
CID 114104935
(2S)-2-N-[(4,4-difluorocyclohexyl)methyl]propane-1,2-diamine
CID 104867709
2-methyl-N-[(2-methyloxolan-3-yl)methyl]cyclobutan-1-amine
CID 130554494
N-[(2-methyloxolan-3-yl)methyl]-3-phenylbutan-1-amine
CID 114104984
2-methyl-N-[(2-methyloxan-3-yl)methyl]propan-1-amine
CID 79365304
2-N-[(4-ethylcyclohexyl)methyl]propane-1,2-diamine
CID 103389347
(2S)-2-N-(7-bicyclo[4.1.0]heptanylmethyl)propane-1,2-diamine
CID 104867892

Frequently Asked Questions

What is the IUPAC name of (2S)-2-N-[(2-methyloxolan-3-yl)methyl]propane-1,2-diamine?
The IUPAC name of (2S)-2-N-[(2-methyloxolan-3-yl)methyl]propane-1,2-diamine (CID 104867499) is (2S)-2-N-[(2-methyloxolan-3-yl)methyl]propane-1,2-diamine.
What is the SMILES notation for (2S)-2-N-[(2-methyloxolan-3-yl)methyl]propane-1,2-diamine?
The canonical SMILES for (2S)-2-N-[(2-methyloxolan-3-yl)methyl]propane-1,2-diamine is CC1OCCC1CN[C@@H](C)CN.
What is the InChIKey of (2S)-2-N-[(2-methyloxolan-3-yl)methyl]propane-1,2-diamine?
The InChIKey is HWQRYIJZPBIUTP-UEJVZZJDSA-N. The full InChI is InChI=1S/C9H20N2O/c1-7(5-10)11-6-9-3-4-12-8(9)2/h7-9,11H,3-6,10H2,1-2H3/t7-,8?,9?/m0/s1.
What are the key properties of (2S)-2-N-[(2-methyloxolan-3-yl)methyl]propane-1,2-diamine?
(2S)-2-N-[(2-methyloxolan-3-yl)methyl]propane-1,2-diamine has a molecular weight of 172.27 g/mol, XLogP of 0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-N-[(2-methyloxolan-3-yl)methyl]propane-1,2-diamine is sourced from PubChem (CID 104867499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).