2-methyl-N-(2-propoxyethyl)pentan-3-amine

C11H25NO — CID 106451788

IUPAC2-methyl-N-(2-propoxyethyl)pentan-3-amine
SMILESCCCOCCNC(CC)C(C)C
InChIInChI=1S/C11H25NO/c1-5-8-13-9-7-12-11(6-2)10(3)4/h10-12H,5-9H2,1-4H3
InChIKeyHUZKOZLLVBOPLL-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.44
Rot. Bonds8

About 2-methyl-N-(2-propoxyethyl)pentan-3-amine

2-methyl-N-(2-propoxyethyl)pentan-3-amine (PubChem CID 106451788) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is 2-methyl-N-(2-propoxyethyl)pentan-3-amine.

Molecular Properties

Compound Name2-methyl-N-(2-propoxyethyl)pentan-3-amine
PubChem CID106451788
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name2-methyl-N-(2-propoxyethyl)pentan-3-amine
SMILESCCCOCCNC(CC)C(C)C
InChIInChI=1S/C11H25NO/c1-5-8-13-9-7-12-11(6-2)10(3)4/h10-12H,5-9H2,1-4H3
InChIKeyHUZKOZLLVBOPLL-UHFFFAOYSA-N
XLogP2.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methyl-N-(2-propoxyethyl)pentan-3-amine 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

1-N,1-N,3-trimethyl-2-N-(2-propoxyethyl)butane-1,2-diamine
CID 106451802
N-(3-butoxypropyl)-2-methylpentan-3-amine
CID 115704440
N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-1-chloro-4-methylpentan-3-amine
CID 106353840
N-[(3R)-2-methylpentan-3-yl]hexan-1-amine
CID 162530079
1-chloro-N-(2-ethoxyethyl)-3-methylbutan-2-amine
CID 79244933
(2S)-2-(2-ethoxyethylamino)-3-methylbutan-1-ol
CID 79250143
1-N,1-N-dimethyl-2-N-(2-propoxyethyl)propane-1,2-diamine
CID 106452397
1-butoxy-3-(2-methylpentan-3-ylamino)propan-2-ol
CID 107262665
N-(2-propoxyethyl)pent-4-yn-2-amine
CID 106452525
2-N-[2-(2-methoxyethoxy)ethyl]-3-methylbutane-1,2-diamine
CID 106345341
N-(3-propoxypropyl)butan-2-amine
CID 62715458
3-(2-propoxyethylamino)butanamide
CID 106452583

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-propoxyethyl)pentan-3-amine?
The IUPAC name of 2-methyl-N-(2-propoxyethyl)pentan-3-amine (CID 106451788) is 2-methyl-N-(2-propoxyethyl)pentan-3-amine.
What is the SMILES notation for 2-methyl-N-(2-propoxyethyl)pentan-3-amine?
The canonical SMILES for 2-methyl-N-(2-propoxyethyl)pentan-3-amine is CCCOCCNC(CC)C(C)C.
What is the InChIKey of 2-methyl-N-(2-propoxyethyl)pentan-3-amine?
The InChIKey is HUZKOZLLVBOPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-5-8-13-9-7-12-11(6-2)10(3)4/h10-12H,5-9H2,1-4H3.
What are the key properties of 2-methyl-N-(2-propoxyethyl)pentan-3-amine?
2-methyl-N-(2-propoxyethyl)pentan-3-amine has a molecular weight of 187.33 g/mol, XLogP of 2.44, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-propoxyethyl)pentan-3-amine is sourced from PubChem (CID 106451788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).