N-[(1-cyclopropylcyclopropyl)methyl]-1-(2-methyl-1-benzofuran-3-yl)methanamine

C17H21NO — CID 103859199

IUPACN-[(1-cyclopropylcyclopropyl)methyl]-1-(2-methyl-1-benzofuran-3-yl)methanamine
SMILESCc1oc2ccccc2c1CNCC1(C2CC2)CC1
InChIInChI=1S/C17H21NO/c1-12-15(14-4-2-3-5-16(14)19-12)10-18-11-17(8-9-17)13-6-7-13/h2-5,13,18H,6-11H2,1H3
InChIKeyDMFOEQNSDQKRMY-UHFFFAOYSA-N
MW255.36 g/mol
LogP4.02
Rot. Bonds5

About N-[(1-cyclopropylcyclopropyl)methyl]-1-(2-methyl-1-benzofuran-3-yl)methanamine

N-[(1-cyclopropylcyclopropyl)methyl]-1-(2-methyl-1-benzofuran-3-yl)methanamine (PubChem CID 103859199) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is N-[(1-cyclopropylcyclopropyl)methyl]-1-(2-methyl-1-benzofuran-3-yl)methanamine.

Molecular Properties

Compound NameN-[(1-cyclopropylcyclopropyl)methyl]-1-(2-methyl-1-benzofuran-3-yl)methanamine
PubChem CID103859199
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC NameN-[(1-cyclopropylcyclopropyl)methyl]-1-(2-methyl-1-benzofuran-3-yl)methanamine
SMILESCc1oc2ccccc2c1CNCC1(C2CC2)CC1
InChIInChI=1S/C17H21NO/c1-12-15(14-4-2-3-5-16(14)19-12)10-18-11-17(8-9-17)13-6-7-13/h2-5,13,18H,6-11H2,1H3
InChIKeyDMFOEQNSDQKRMY-UHFFFAOYSA-N
XLogP4.02
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopropylcyclopropyl)methyl]-1-(2-methyl-1-benzofuran-3-yl)methanamine?
The IUPAC name of N-[(1-cyclopropylcyclopropyl)methyl]-1-(2-methyl-1-benzofuran-3-yl)methanamine (CID 103859199) is N-[(1-cyclopropylcyclopropyl)methyl]-1-(2-methyl-1-benzofuran-3-yl)methanamine.
What is the SMILES notation for N-[(1-cyclopropylcyclopropyl)methyl]-1-(2-methyl-1-benzofuran-3-yl)methanamine?
The canonical SMILES for N-[(1-cyclopropylcyclopropyl)methyl]-1-(2-methyl-1-benzofuran-3-yl)methanamine is Cc1oc2ccccc2c1CNCC1(C2CC2)CC1.
What is the InChIKey of N-[(1-cyclopropylcyclopropyl)methyl]-1-(2-methyl-1-benzofuran-3-yl)methanamine?
The InChIKey is DMFOEQNSDQKRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-12-15(14-4-2-3-5-16(14)19-12)10-18-11-17(8-9-17)13-6-7-13/h2-5,13,18H,6-11H2,1H3.
What are the key properties of N-[(1-cyclopropylcyclopropyl)methyl]-1-(2-methyl-1-benzofuran-3-yl)methanamine?
N-[(1-cyclopropylcyclopropyl)methyl]-1-(2-methyl-1-benzofuran-3-yl)methanamine has a molecular weight of 255.36 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopropylcyclopropyl)methyl]-1-(2-methyl-1-benzofuran-3-yl)methanamine is sourced from PubChem (CID 103859199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).