N-[2-(cyclopropylmethoxymethyl)-2-methylbut-3-enyl]cyclopropanamine

C13H23NO — CID 106931005

IUPACN-[2-(cyclopropylmethoxymethyl)-2-methylbut-3-enyl]cyclopropanamine
SMILESC=CC(C)(CNC1CC1)COCC1CC1
InChIInChI=1S/C13H23NO/c1-3-13(2,9-14-12-6-7-12)10-15-8-11-4-5-11/h3,11-12,14H,1,4-10H2,2H3
InChIKeyXMCLRQSHVYBJLY-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.36
Rot. Bonds8

About N-[2-(cyclopropylmethoxymethyl)-2-methylbut-3-enyl]cyclopropanamine

N-[2-(cyclopropylmethoxymethyl)-2-methylbut-3-enyl]cyclopropanamine (PubChem CID 106931005) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is N-[2-(cyclopropylmethoxymethyl)-2-methylbut-3-enyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(cyclopropylmethoxymethyl)-2-methylbut-3-enyl]cyclopropanamine
PubChem CID106931005
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC NameN-[2-(cyclopropylmethoxymethyl)-2-methylbut-3-enyl]cyclopropanamine
SMILESC=CC(C)(CNC1CC1)COCC1CC1
InChIInChI=1S/C13H23NO/c1-3-13(2,9-14-12-6-7-12)10-15-8-11-4-5-11/h3,11-12,14H,1,4-10H2,2H3
InChIKeyXMCLRQSHVYBJLY-UHFFFAOYSA-N
XLogP2.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.36
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-[2-(ethoxymethyl)-2-methylbut-3-enyl]cyclopropanamine
CID 102641172
2-(cyclopropylmethoxymethyl)-2-methyl-N-(2-methylpropyl)but-3-en-1-amine
CID 106931007
N-[2-(cyclopropylmethoxymethyl)-2-methylpentyl]cyclopropanamine
CID 106930748
N-[2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]but-3-enyl]cyclopropanamine
CID 102641239
N-(2-ethenyl-2-methylhexyl)cyclopropanamine
CID 102641141
N-[2-(2-ethylsulfanylethyl)-2-methylbut-3-enyl]cyclopropanamine
CID 102641265
N-(2-ethenyl-2,4-dimethylheptyl)cyclopropanamine
CID 102641124
N-[2,2-dimethyl-3-(oxolan-3-ylmethoxy)propyl]cyclopropanamine
CID 79628640
N-[2-(furan-3-ylmethyl)-2-methylbut-3-enyl]cyclopropanamine
CID 102641139
N-[2-methyl-2-[(2-methyltetrazol-5-yl)methyl]but-3-enyl]cyclopropanamine
CID 107053624
N-[2-[(5-bromo-2-methoxyphenyl)methyl]-2-methylbut-3-enyl]cyclopropanamine
CID 102641210
N-[2-[(2-bromo-5-methoxyphenyl)methyl]-2-methylbut-3-enyl]cyclopropanamine
CID 102641215

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylmethoxymethyl)-2-methylbut-3-enyl]cyclopropanamine?
The IUPAC name of N-[2-(cyclopropylmethoxymethyl)-2-methylbut-3-enyl]cyclopropanamine (CID 106931005) is N-[2-(cyclopropylmethoxymethyl)-2-methylbut-3-enyl]cyclopropanamine.
What is the SMILES notation for N-[2-(cyclopropylmethoxymethyl)-2-methylbut-3-enyl]cyclopropanamine?
The canonical SMILES for N-[2-(cyclopropylmethoxymethyl)-2-methylbut-3-enyl]cyclopropanamine is C=CC(C)(CNC1CC1)COCC1CC1.
What is the InChIKey of N-[2-(cyclopropylmethoxymethyl)-2-methylbut-3-enyl]cyclopropanamine?
The InChIKey is XMCLRQSHVYBJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-3-13(2,9-14-12-6-7-12)10-15-8-11-4-5-11/h3,11-12,14H,1,4-10H2,2H3.
What are the key properties of N-[2-(cyclopropylmethoxymethyl)-2-methylbut-3-enyl]cyclopropanamine?
N-[2-(cyclopropylmethoxymethyl)-2-methylbut-3-enyl]cyclopropanamine has a molecular weight of 209.33 g/mol, XLogP of 2.36, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylmethoxymethyl)-2-methylbut-3-enyl]cyclopropanamine is sourced from PubChem (CID 106931005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).