N-tert-butyl-2-(cyclobutyloxymethyl)prop-2-en-1-amine

C12H23NO — CID 103074726

IUPACN-tert-butyl-2-(cyclobutyloxymethyl)prop-2-en-1-amine
SMILESC=C(CNC(C)(C)C)COC1CCC1
InChIInChI=1S/C12H23NO/c1-10(8-13-12(2,3)4)9-14-11-6-5-7-11/h11,13H,1,5-9H2,2-4H3
InChIKeyGYCAHSBBHOUIKK-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.50
Rot. Bonds5

About N-tert-butyl-2-(cyclobutyloxymethyl)prop-2-en-1-amine

N-tert-butyl-2-(cyclobutyloxymethyl)prop-2-en-1-amine (PubChem CID 103074726) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is N-tert-butyl-2-(cyclobutyloxymethyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-(cyclobutyloxymethyl)prop-2-en-1-amine
PubChem CID103074726
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC NameN-tert-butyl-2-(cyclobutyloxymethyl)prop-2-en-1-amine
SMILESC=C(CNC(C)(C)C)COC1CCC1
InChIInChI=1S/C12H23NO/c1-10(8-13-12(2,3)4)9-14-11-6-5-7-11/h11,13H,1,5-9H2,2-4H3
InChIKeyGYCAHSBBHOUIKK-UHFFFAOYSA-N
XLogP2.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-2-[(2-methylpropan-2-yl)oxymethyl]prop-2-en-1-amine
CID 103074530
N-tert-butyl-2-(cyclopentylsulfanylmethyl)prop-2-en-1-amine
CID 103068549
N-[2-[(3-methoxycyclohexyl)oxymethyl]prop-2-enyl]cyclopropanamine
CID 103074784
N-tert-butyl-2-(octoxymethyl)prop-2-en-1-amine
CID 103074561
N-tert-butyl-2-(oxan-2-ylmethoxymethyl)prop-2-en-1-amine
CID 103074450
N-tert-butyl-3-cyclobutyloxy-2,2-dimethylpropan-1-amine
CID 79620356
N-tert-butyl-2-(2-ethoxyethoxymethyl)prop-2-en-1-amine
CID 103074373
N-tert-butyl-N'-[2-(cyclopropylmethoxy)ethyl]-N'-methyl-2-methylidenepropane-1,3-diamine
CID 103071055
2-[(3-methoxycyclohexyl)oxymethyl]prop-2-en-1-amine
CID 103074789
N-tert-butyl-4-cyclopentyloxybutan-1-amine
CID 62443463
2-bromoprop-2-enoxycycloheptane
CID 88586401
2-(tert-butylamino)-N-cyclopentyl-N-(2-methylpropyl)acetamide
CID 112727507

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(cyclobutyloxymethyl)prop-2-en-1-amine?
The IUPAC name of N-tert-butyl-2-(cyclobutyloxymethyl)prop-2-en-1-amine (CID 103074726) is N-tert-butyl-2-(cyclobutyloxymethyl)prop-2-en-1-amine.
What is the SMILES notation for N-tert-butyl-2-(cyclobutyloxymethyl)prop-2-en-1-amine?
The canonical SMILES for N-tert-butyl-2-(cyclobutyloxymethyl)prop-2-en-1-amine is C=C(CNC(C)(C)C)COC1CCC1.
What is the InChIKey of N-tert-butyl-2-(cyclobutyloxymethyl)prop-2-en-1-amine?
The InChIKey is GYCAHSBBHOUIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-10(8-13-12(2,3)4)9-14-11-6-5-7-11/h11,13H,1,5-9H2,2-4H3.
What are the key properties of N-tert-butyl-2-(cyclobutyloxymethyl)prop-2-en-1-amine?
N-tert-butyl-2-(cyclobutyloxymethyl)prop-2-en-1-amine has a molecular weight of 197.32 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(cyclobutyloxymethyl)prop-2-en-1-amine is sourced from PubChem (CID 103074726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).