3-(cyclopropylmethoxy)-N-(1H-pyrrol-3-ylmethyl)propan-1-amine

C12H20N2O — CID 66407185

IUPAC3-(cyclopropylmethoxy)-N-(1H-pyrrol-3-ylmethyl)propan-1-amine
SMILESc1cc(CNCCCOCC2CC2)c[nH]1
InChIInChI=1S/C12H20N2O/c1(7-15-10-11-2-3-11)5-13-8-12-4-6-14-9-12/h4,6,9,11,13-14H,1-3,5,7-8,10H2
InChIKeySWTRPWBJHSRKHF-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.92
Rot. Bonds8

About 3-(cyclopropylmethoxy)-N-(1H-pyrrol-3-ylmethyl)propan-1-amine

3-(cyclopropylmethoxy)-N-(1H-pyrrol-3-ylmethyl)propan-1-amine (PubChem CID 66407185) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 3-(cyclopropylmethoxy)-N-(1H-pyrrol-3-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-(cyclopropylmethoxy)-N-(1H-pyrrol-3-ylmethyl)propan-1-amine
PubChem CID66407185
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name3-(cyclopropylmethoxy)-N-(1H-pyrrol-3-ylmethyl)propan-1-amine
SMILESc1cc(CNCCCOCC2CC2)c[nH]1
InChIInChI=1S/C12H20N2O/c1(7-15-10-11-2-3-11)5-13-8-12-4-6-14-9-12/h4,6,9,11,13-14H,1-3,5,7-8,10H2
InChIKeySWTRPWBJHSRKHF-UHFFFAOYSA-N
XLogP1.92
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-ethoxy-N-(1H-pyrrol-3-ylmethyl)propan-1-amine
CID 66408485
3-(2-methylpropoxy)-N-(1H-pyrrol-3-ylmethyl)propan-1-amine
CID 66409145
N-benzyl-3-(cyclohexylmethoxy)propan-1-amine
CID 114782937
2-(cyclopropylmethoxy)-N-[(4-fluorophenyl)methyl]ethanamine
CID 103653259
3-(cyclopropylmethoxy)-N-[(4-prop-2-enoxyphenyl)methyl]propan-1-amine
CID 28719822
3-(cyclopropylmethoxy)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]propan-1-amine
CID 62097378
3-(cyclopropylmethoxy)-N-[(4-methoxy-3-methylphenyl)methyl]propan-1-amine
CID 43233318
3-(cyclopropylmethoxy)-N-[(6-methoxy-3-pyridinyl)methyl]propan-1-amine
CID 114936367
5-(1H-pyrrol-3-ylmethylamino)pentan-1-ol
CID 107302884
3-piperidin-1-yl-N-(1H-pyrrol-3-ylmethyl)propan-1-amine
CID 66409579
N-[(4-chlorophenyl)methyl]-2-(cyclopropylmethoxy)ethanamine
CID 103653224
N-[[5-(aminomethyl)furan-2-yl]methyl]-3-(cyclopropylmethoxy)propan-1-amine
CID 114098872

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethoxy)-N-(1H-pyrrol-3-ylmethyl)propan-1-amine?
The IUPAC name of 3-(cyclopropylmethoxy)-N-(1H-pyrrol-3-ylmethyl)propan-1-amine (CID 66407185) is 3-(cyclopropylmethoxy)-N-(1H-pyrrol-3-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-(cyclopropylmethoxy)-N-(1H-pyrrol-3-ylmethyl)propan-1-amine?
The canonical SMILES for 3-(cyclopropylmethoxy)-N-(1H-pyrrol-3-ylmethyl)propan-1-amine is c1cc(CNCCCOCC2CC2)c[nH]1.
What is the InChIKey of 3-(cyclopropylmethoxy)-N-(1H-pyrrol-3-ylmethyl)propan-1-amine?
The InChIKey is SWTRPWBJHSRKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1(7-15-10-11-2-3-11)5-13-8-12-4-6-14-9-12/h4,6,9,11,13-14H,1-3,5,7-8,10H2.
What are the key properties of 3-(cyclopropylmethoxy)-N-(1H-pyrrol-3-ylmethyl)propan-1-amine?
3-(cyclopropylmethoxy)-N-(1H-pyrrol-3-ylmethyl)propan-1-amine has a molecular weight of 208.31 g/mol, XLogP of 1.92, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethoxy)-N-(1H-pyrrol-3-ylmethyl)propan-1-amine is sourced from PubChem (CID 66407185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).