N,3-dimethyl-3-prop-2-enoxybutan-1-amine

C9H19NO — CID 142450320

IUPACN,3-dimethyl-3-prop-2-enoxybutan-1-amine
SMILESC=CCOC(C)(C)CCNC
InChIInChI=1S/C9H19NO/c1-5-8-11-9(2,3)6-7-10-4/h5,10H,1,6-8H2,2-4H3
InChIKeyCLRNFQXCGLQUQX-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.58
Rot. Bonds6

About N,3-dimethyl-3-prop-2-enoxybutan-1-amine

N,3-dimethyl-3-prop-2-enoxybutan-1-amine (PubChem CID 142450320) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is N,3-dimethyl-3-prop-2-enoxybutan-1-amine.

Molecular Properties

Compound NameN,3-dimethyl-3-prop-2-enoxybutan-1-amine
PubChem CID142450320
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC NameN,3-dimethyl-3-prop-2-enoxybutan-1-amine
SMILESC=CCOC(C)(C)CCNC
InChIInChI=1S/C9H19NO/c1-5-8-11-9(2,3)6-7-10-4/h5,10H,1,6-8H2,2-4H3
InChIKeyCLRNFQXCGLQUQX-UHFFFAOYSA-N
XLogP1.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.58
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

3-prop-2-enoxy-N-propylpropan-1-amine
CID 62442457
4-Allyloxy-4-methylpiperidine hydrochloride
CID 86710776
4-(Allyloxy)-4-methylpiperidine
CID 86710777
Hydron;4-methyl-4-prop-2-enoxypiperidine;chloride
CID 117603717
Diethyl-methyl-(3-methyl-3-prop-2-enoxybutyl)azanium
CID 126668939
3-(2-methylprop-2-enoxy)-N-prop-2-enylpropan-1-amine
CID 142038525
3-Methyl-3-(2-methyl-2-prop-2-enoxypropoxy)butan-1-amine
CID 145279702
N-methyl-2-(prop-2-enoxymethyl)butan-1-amine
CID 158326199
N-methyl-3-(2-methylprop-2-enoxy)propan-1-amine
CID 163401473
2-(buta-2,3-dienoxymethyl)-N-ethylbutan-1-amine
CID 163416832
3-Methyl-3-prop-2-enoxybutan-1-amine;molecular hydrogen
CID 177036551
N,2-dimethyl-2-prop-2-enoxypropan-1-amine
CID 55286358

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-3-prop-2-enoxybutan-1-amine?
The IUPAC name of N,3-dimethyl-3-prop-2-enoxybutan-1-amine (CID 142450320) is N,3-dimethyl-3-prop-2-enoxybutan-1-amine.
What is the SMILES notation for N,3-dimethyl-3-prop-2-enoxybutan-1-amine?
The canonical SMILES for N,3-dimethyl-3-prop-2-enoxybutan-1-amine is C=CCOC(C)(C)CCNC.
What is the InChIKey of N,3-dimethyl-3-prop-2-enoxybutan-1-amine?
The InChIKey is CLRNFQXCGLQUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-5-8-11-9(2,3)6-7-10-4/h5,10H,1,6-8H2,2-4H3.
What are the key properties of N,3-dimethyl-3-prop-2-enoxybutan-1-amine?
N,3-dimethyl-3-prop-2-enoxybutan-1-amine has a molecular weight of 157.26 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-3-prop-2-enoxybutan-1-amine is sourced from PubChem (CID 142450320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).