1-[2-[4-(3-aminopropoxy)butoxy]ethyl]-2-methylcyclopropan-1-amine

C13H28N2O2 — CID 70445750

IUPAC1-[2-[4-(3-aminopropoxy)butoxy]ethyl]-2-methylcyclopropan-1-amine
SMILESCC1CC1(N)CCOCCCCOCCCN
InChIInChI=1S/C13H28N2O2/c1-12-11-13(12,15)5-10-17-8-3-2-7-16-9-4-6-14/h12H,2-11,14-15H2,1H3
InChIKeyCNWCBJOEWVTPSO-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.28
Rot. Bonds11

About 1-[2-[4-(3-aminopropoxy)butoxy]ethyl]-2-methylcyclopropan-1-amine

1-[2-[4-(3-aminopropoxy)butoxy]ethyl]-2-methylcyclopropan-1-amine (PubChem CID 70445750) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-[2-[4-(3-aminopropoxy)butoxy]ethyl]-2-methylcyclopropan-1-amine.

Molecular Properties

Compound Name1-[2-[4-(3-aminopropoxy)butoxy]ethyl]-2-methylcyclopropan-1-amine
PubChem CID70445750
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name1-[2-[4-(3-aminopropoxy)butoxy]ethyl]-2-methylcyclopropan-1-amine
SMILESCC1CC1(N)CCOCCCCOCCCN
InChIInChI=1S/C13H28N2O2/c1-12-11-13(12,15)5-10-17-8-3-2-7-16-9-4-6-14/h12H,2-11,14-15H2,1H3
InChIKeyCNWCBJOEWVTPSO-UHFFFAOYSA-N
XLogP1.28
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3-aminopropoxy)propan-1-amine;ethane
CID 23031033
1-(2-butoxyethyl)-2-methylcyclohexan-1-amine
CID 115001863
3-(4-ethoxybutoxy)propan-1-amine
CID 87914179
3-(1-amino-2-methylcyclopropyl)propane-1-thiol
CID 84649053
2-[2-(3-methoxypropoxy)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 103184905
6-[2-(3-aminopropoxy)ethoxy]hexan-1-amine
CID 87252227
3-[4-(2-butoxyethoxy)butoxy]propan-1-amine
CID 118457159
3-(15-dodecoxypentadecoxy)propan-1-amine
CID 87645067
3-[3-[2-(3-aminopropoxy)ethoxy]propoxy]propan-1-amine
CID 118897120
4-[2-(4-aminobutoxy)ethoxy]butan-1-amine
CID 87873641
11-(11-aminoundecoxy)undecan-1-amine
CID 19099845
4-(2-aminoethoxy)butan-1-amine;ethane
CID 171066196

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(3-aminopropoxy)butoxy]ethyl]-2-methylcyclopropan-1-amine?
The IUPAC name of 1-[2-[4-(3-aminopropoxy)butoxy]ethyl]-2-methylcyclopropan-1-amine (CID 70445750) is 1-[2-[4-(3-aminopropoxy)butoxy]ethyl]-2-methylcyclopropan-1-amine.
What is the SMILES notation for 1-[2-[4-(3-aminopropoxy)butoxy]ethyl]-2-methylcyclopropan-1-amine?
The canonical SMILES for 1-[2-[4-(3-aminopropoxy)butoxy]ethyl]-2-methylcyclopropan-1-amine is CC1CC1(N)CCOCCCCOCCCN.
What is the InChIKey of 1-[2-[4-(3-aminopropoxy)butoxy]ethyl]-2-methylcyclopropan-1-amine?
The InChIKey is CNWCBJOEWVTPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-12-11-13(12,15)5-10-17-8-3-2-7-16-9-4-6-14/h12H,2-11,14-15H2,1H3.
What are the key properties of 1-[2-[4-(3-aminopropoxy)butoxy]ethyl]-2-methylcyclopropan-1-amine?
1-[2-[4-(3-aminopropoxy)butoxy]ethyl]-2-methylcyclopropan-1-amine has a molecular weight of 244.38 g/mol, XLogP of 1.28, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(3-aminopropoxy)butoxy]ethyl]-2-methylcyclopropan-1-amine is sourced from PubChem (CID 70445750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).