N-[[5-(aminomethyl)furan-2-yl]methyl]-3-(cyclopropylmethoxy)propan-1-amine

C13H22N2O2 — CID 114098872

IUPACN-[[5-(aminomethyl)furan-2-yl]methyl]-3-(cyclopropylmethoxy)propan-1-amine
SMILESNCc1ccc(CNCCCOCC2CC2)o1
InChIInChI=1S/C13H22N2O2/c14-8-12-4-5-13(17-12)9-15-6-1-7-16-10-11-2-3-11/h4-5,11,15H,1-3,6-10,14H2
InChIKeyMKZRDHQDSPKUIO-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.64
Rot. Bonds9

About N-[[5-(aminomethyl)furan-2-yl]methyl]-3-(cyclopropylmethoxy)propan-1-amine

N-[[5-(aminomethyl)furan-2-yl]methyl]-3-(cyclopropylmethoxy)propan-1-amine (PubChem CID 114098872) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N-[[5-(aminomethyl)furan-2-yl]methyl]-3-(cyclopropylmethoxy)propan-1-amine.

Molecular Properties

Compound NameN-[[5-(aminomethyl)furan-2-yl]methyl]-3-(cyclopropylmethoxy)propan-1-amine
PubChem CID114098872
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC NameN-[[5-(aminomethyl)furan-2-yl]methyl]-3-(cyclopropylmethoxy)propan-1-amine
SMILESNCc1ccc(CNCCCOCC2CC2)o1
InChIInChI=1S/C13H22N2O2/c14-8-12-4-5-13(17-12)9-15-6-1-7-16-10-11-2-3-11/h4-5,11,15H,1-3,6-10,14H2
InChIKeyMKZRDHQDSPKUIO-UHFFFAOYSA-N
XLogP1.64
TPSA60.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.64
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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Frequently Asked Questions

What is the IUPAC name of N-[[5-(aminomethyl)furan-2-yl]methyl]-3-(cyclopropylmethoxy)propan-1-amine?
The IUPAC name of N-[[5-(aminomethyl)furan-2-yl]methyl]-3-(cyclopropylmethoxy)propan-1-amine (CID 114098872) is N-[[5-(aminomethyl)furan-2-yl]methyl]-3-(cyclopropylmethoxy)propan-1-amine.
What is the SMILES notation for N-[[5-(aminomethyl)furan-2-yl]methyl]-3-(cyclopropylmethoxy)propan-1-amine?
The canonical SMILES for N-[[5-(aminomethyl)furan-2-yl]methyl]-3-(cyclopropylmethoxy)propan-1-amine is NCc1ccc(CNCCCOCC2CC2)o1.
What is the InChIKey of N-[[5-(aminomethyl)furan-2-yl]methyl]-3-(cyclopropylmethoxy)propan-1-amine?
The InChIKey is MKZRDHQDSPKUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c14-8-12-4-5-13(17-12)9-15-6-1-7-16-10-11-2-3-11/h4-5,11,15H,1-3,6-10,14H2.
What are the key properties of N-[[5-(aminomethyl)furan-2-yl]methyl]-3-(cyclopropylmethoxy)propan-1-amine?
N-[[5-(aminomethyl)furan-2-yl]methyl]-3-(cyclopropylmethoxy)propan-1-amine has a molecular weight of 238.33 g/mol, XLogP of 1.64, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(aminomethyl)furan-2-yl]methyl]-3-(cyclopropylmethoxy)propan-1-amine is sourced from PubChem (CID 114098872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).