N-[[1-(2-methoxyethyl)cyclopropyl]methyl]octan-2-amine

C15H31NO — CID 103903995

IUPACN-[[1-(2-methoxyethyl)cyclopropyl]methyl]octan-2-amine
SMILESCCCCCCC(C)NCC1(CCOC)CC1
InChIInChI=1S/C15H31NO/c1-4-5-6-7-8-14(2)16-13-15(9-10-15)11-12-17-3/h14,16H,4-13H2,1-3H3
InChIKeyNKRKWCQQSZKTFG-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.75
Rot. Bonds11

About N-[[1-(2-methoxyethyl)cyclopropyl]methyl]octan-2-amine

N-[[1-(2-methoxyethyl)cyclopropyl]methyl]octan-2-amine (PubChem CID 103903995) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is N-[[1-(2-methoxyethyl)cyclopropyl]methyl]octan-2-amine.

Molecular Properties

Compound NameN-[[1-(2-methoxyethyl)cyclopropyl]methyl]octan-2-amine
PubChem CID103903995
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC NameN-[[1-(2-methoxyethyl)cyclopropyl]methyl]octan-2-amine
SMILESCCCCCCC(C)NCC1(CCOC)CC1
InChIInChI=1S/C15H31NO/c1-4-5-6-7-8-14(2)16-13-15(9-10-15)11-12-17-3/h14,16H,4-13H2,1-3H3
InChIKeyNKRKWCQQSZKTFG-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[1-[(nonan-2-ylamino)methyl]cyclopropyl]ethanol
CID 114750822
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-4-methylpentan-2-amine
CID 115894858
1-methoxy-N-[(1-propylcyclopropyl)methyl]propan-2-amine
CID 115695256
N-[[1-(3-methoxypropyl)cyclopropyl]methyl]propan-2-amine
CID 66024015
1-[(nonan-2-ylamino)methyl]cyclopentan-1-ol
CID 65105272
N-[(1-hexylcyclopropyl)methyl]-2-methoxyethanamine
CID 66026488
N-[[1-(2-methoxyethyl)cyclopentyl]methyl]-3-methylbutan-2-amine
CID 115728783
N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-3-methylbutan-2-amine
CID 115728811
N-[[1-(2-methoxyethyl)cyclobutyl]methyl]hexan-3-amine
CID 115906230
N-[(1-ethylcyclopropyl)methyl]pentan-2-amine
CID 103903056
N-butan-2-yl-2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]propanamide
CID 114112877
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-(2,4,5-trimethylphenyl)ethanamine
CID 103903901

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyethyl)cyclopropyl]methyl]octan-2-amine?
The IUPAC name of N-[[1-(2-methoxyethyl)cyclopropyl]methyl]octan-2-amine (CID 103903995) is N-[[1-(2-methoxyethyl)cyclopropyl]methyl]octan-2-amine.
What is the SMILES notation for N-[[1-(2-methoxyethyl)cyclopropyl]methyl]octan-2-amine?
The canonical SMILES for N-[[1-(2-methoxyethyl)cyclopropyl]methyl]octan-2-amine is CCCCCCC(C)NCC1(CCOC)CC1.
What is the InChIKey of N-[[1-(2-methoxyethyl)cyclopropyl]methyl]octan-2-amine?
The InChIKey is NKRKWCQQSZKTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-4-5-6-7-8-14(2)16-13-15(9-10-15)11-12-17-3/h14,16H,4-13H2,1-3H3.
What are the key properties of N-[[1-(2-methoxyethyl)cyclopropyl]methyl]octan-2-amine?
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]octan-2-amine has a molecular weight of 241.42 g/mol, XLogP of 3.75, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyethyl)cyclopropyl]methyl]octan-2-amine is sourced from PubChem (CID 103903995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).