N-propyl-N-(2-prop-2-ynoxyethyl)butan-1-amine

C12H23NO — CID 88915185

IUPACN-propyl-N-(2-prop-2-ynoxyethyl)butan-1-amine
SMILESC#CCOCCN(CCC)CCCC
InChIInChI=1S/C12H23NO/c1-4-7-9-13(8-5-2)10-12-14-11-6-3/h3H,4-5,7-12H2,1-2H3
InChIKeyWENQIWZBRVCPAM-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.15
Rot. Bonds9

About N-propyl-N-(2-prop-2-ynoxyethyl)butan-1-amine

N-propyl-N-(2-prop-2-ynoxyethyl)butan-1-amine (PubChem CID 88915185) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is N-propyl-N-(2-prop-2-ynoxyethyl)butan-1-amine.

Molecular Properties

Compound NameN-propyl-N-(2-prop-2-ynoxyethyl)butan-1-amine
PubChem CID88915185
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC NameN-propyl-N-(2-prop-2-ynoxyethyl)butan-1-amine
SMILESC#CCOCCN(CCC)CCCC
InChIInChI=1S/C12H23NO/c1-4-7-9-13(8-5-2)10-12-14-11-6-3/h3H,4-5,7-12H2,1-2H3
InChIKeyWENQIWZBRVCPAM-UHFFFAOYSA-N
XLogP2.15
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N,N-bis(2-ethoxyethyl)butan-1-amine
CID 91213413
N-butyl-N-[2-[2-(diethylamino)ethoxy]ethyl]butan-1-amine
CID 19822695
N,N-dibutyl-4-(prop-2-ynoxymethoxy)but-2-yn-1-amine
CID 5058271
N,N-dipropylbutan-1-amine;hydrofluoride
CID 19783533
N-methyl-N-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethyl]propan-1-amine
CID 168959920
N-butyl-N-(2-hexoxyethyl)butan-1-amine;hydrochloride
CID 131884842
N-(2-bromoethyl)-N-propylbutan-1-amine
CID 80672792
N-(3-methoxypropyl)-N-propylbutan-1-amine
CID 148527090
tert-butyl N-[2-[2-[2-butoxyethyl-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]amino]ethoxy]ethyl]-N-methylcarbamate
CID 158067322
2-[2-[2-[2-[butyl-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]ethanol
CID 134252023
N,N-bis[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]butan-1-amine
CID 134252027
N-(3-butoxypropyl)-N-butylbutan-1-amine
CID 152720768

Frequently Asked Questions

What is the IUPAC name of N-propyl-N-(2-prop-2-ynoxyethyl)butan-1-amine?
The IUPAC name of N-propyl-N-(2-prop-2-ynoxyethyl)butan-1-amine (CID 88915185) is N-propyl-N-(2-prop-2-ynoxyethyl)butan-1-amine.
What is the SMILES notation for N-propyl-N-(2-prop-2-ynoxyethyl)butan-1-amine?
The canonical SMILES for N-propyl-N-(2-prop-2-ynoxyethyl)butan-1-amine is C#CCOCCN(CCC)CCCC.
What is the InChIKey of N-propyl-N-(2-prop-2-ynoxyethyl)butan-1-amine?
The InChIKey is WENQIWZBRVCPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-4-7-9-13(8-5-2)10-12-14-11-6-3/h3H,4-5,7-12H2,1-2H3.
What are the key properties of N-propyl-N-(2-prop-2-ynoxyethyl)butan-1-amine?
N-propyl-N-(2-prop-2-ynoxyethyl)butan-1-amine has a molecular weight of 197.32 g/mol, XLogP of 2.15, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-N-(2-prop-2-ynoxyethyl)butan-1-amine is sourced from PubChem (CID 88915185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).