N-but-3-ynyl-N-(2-methoxyethyl)pentan-3-amine

C12H23NO — CID 63657246

IUPACN-but-3-ynyl-N-(2-methoxyethyl)pentan-3-amine
SMILESC#CCCN(CCOC)C(CC)CC
InChIInChI=1S/C12H23NO/c1-5-8-9-13(10-11-14-4)12(6-2)7-3/h1,12H,6-11H2,2-4H3
InChIKeyZIMIKWGFIOSDDF-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.15
Rot. Bonds8

About N-but-3-ynyl-N-(2-methoxyethyl)pentan-3-amine

N-but-3-ynyl-N-(2-methoxyethyl)pentan-3-amine (PubChem CID 63657246) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is N-but-3-ynyl-N-(2-methoxyethyl)pentan-3-amine.

Molecular Properties

Compound NameN-but-3-ynyl-N-(2-methoxyethyl)pentan-3-amine
PubChem CID63657246
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC NameN-but-3-ynyl-N-(2-methoxyethyl)pentan-3-amine
SMILESC#CCCN(CCOC)C(CC)CC
InChIInChI=1S/C12H23NO/c1-5-8-9-13(10-11-14-4)12(6-2)7-3/h1,12H,6-11H2,2-4H3
InChIKeyZIMIKWGFIOSDDF-UHFFFAOYSA-N
XLogP2.15
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-but-3-ynyl-N-methylpentan-3-amine
CID 63657244
N'-(2-methoxyethyl)-2-methyl-N'-pentan-3-ylbutane-1,4-diamine
CID 81079088
N'-(2-methoxyethyl)-N-(3-methoxypropyl)-N'-pentan-3-ylethane-1,2-diamine
CID 62557564
N,N'-bis(2-methoxyethyl)-N'-pentan-3-ylbutane-1,4-diamine
CID 55087436
N-(2,2-diethoxyethyl)-N-(2-methoxyethyl)pentan-3-amine
CID 63618872
N-(2-chloroethyl)-N-(3-methoxypropyl)pentan-3-amine
CID 63387675
2-[3-methoxypropyl(pentan-3-yl)amino]ethanol
CID 62015077
3-[bis(2-methoxyethyl)amino]pentanimidamide
CID 61418773
N-(2-chloroethyl)-N-[2-(3-methoxypropoxy)ethyl]pentan-3-amine
CID 103183958
1-[[2-methoxyethyl(pentan-3-yl)amino]methyl]cyclopentan-1-ol
CID 65212569
ethyl 3-[2-methoxyethyl(pentan-3-yl)amino]propanoate
CID 55004372
4-[2-methoxyethyl(pentan-3-yl)amino]-2-(propan-2-ylamino)butanenitrile
CID 55144282

Frequently Asked Questions

What is the IUPAC name of N-but-3-ynyl-N-(2-methoxyethyl)pentan-3-amine?
The IUPAC name of N-but-3-ynyl-N-(2-methoxyethyl)pentan-3-amine (CID 63657246) is N-but-3-ynyl-N-(2-methoxyethyl)pentan-3-amine.
What is the SMILES notation for N-but-3-ynyl-N-(2-methoxyethyl)pentan-3-amine?
The canonical SMILES for N-but-3-ynyl-N-(2-methoxyethyl)pentan-3-amine is C#CCCN(CCOC)C(CC)CC.
What is the InChIKey of N-but-3-ynyl-N-(2-methoxyethyl)pentan-3-amine?
The InChIKey is ZIMIKWGFIOSDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-5-8-9-13(10-11-14-4)12(6-2)7-3/h1,12H,6-11H2,2-4H3.
What are the key properties of N-but-3-ynyl-N-(2-methoxyethyl)pentan-3-amine?
N-but-3-ynyl-N-(2-methoxyethyl)pentan-3-amine has a molecular weight of 197.32 g/mol, XLogP of 2.15, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-ynyl-N-(2-methoxyethyl)pentan-3-amine is sourced from PubChem (CID 63657246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).