N-[4-methyl-4-(5-methylfuran-2-yl)pentan-2-yl]cyclopropanamine

C14H23NO — CID 3692308

IUPACN-[4-methyl-4-(5-methylfuran-2-yl)pentan-2-yl]cyclopropanamine
SMILESCc1ccc(C(C)(C)CC(C)NC2CC2)o1
InChIInChI=1S/C14H23NO/c1-10(15-12-6-7-12)9-14(3,4)13-8-5-11(2)16-13/h5,8,10,12,15H,6-7,9H2,1-4H3
InChIKeyAMCSADWBUNPKTE-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.40
Rot. Bonds5

About N-[4-methyl-4-(5-methylfuran-2-yl)pentan-2-yl]cyclopropanamine

N-[4-methyl-4-(5-methylfuran-2-yl)pentan-2-yl]cyclopropanamine (PubChem CID 3692308) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N-[4-methyl-4-(5-methylfuran-2-yl)pentan-2-yl]cyclopropanamine.

Molecular Properties

Compound NameN-[4-methyl-4-(5-methylfuran-2-yl)pentan-2-yl]cyclopropanamine
PubChem CID3692308
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN-[4-methyl-4-(5-methylfuran-2-yl)pentan-2-yl]cyclopropanamine
SMILESCc1ccc(C(C)(C)CC(C)NC2CC2)o1
InChIInChI=1S/C14H23NO/c1-10(15-12-6-7-12)9-14(3,4)13-8-5-11(2)16-13/h5,8,10,12,15H,6-7,9H2,1-4H3
InChIKeyAMCSADWBUNPKTE-UHFFFAOYSA-N
XLogP3.40
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-4-(5-methylfuran-2-yl)pentan-2-yl]cyclopropanamine?
The IUPAC name of N-[4-methyl-4-(5-methylfuran-2-yl)pentan-2-yl]cyclopropanamine (CID 3692308) is N-[4-methyl-4-(5-methylfuran-2-yl)pentan-2-yl]cyclopropanamine.
What is the SMILES notation for N-[4-methyl-4-(5-methylfuran-2-yl)pentan-2-yl]cyclopropanamine?
The canonical SMILES for N-[4-methyl-4-(5-methylfuran-2-yl)pentan-2-yl]cyclopropanamine is Cc1ccc(C(C)(C)CC(C)NC2CC2)o1.
What is the InChIKey of N-[4-methyl-4-(5-methylfuran-2-yl)pentan-2-yl]cyclopropanamine?
The InChIKey is AMCSADWBUNPKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-10(15-12-6-7-12)9-14(3,4)13-8-5-11(2)16-13/h5,8,10,12,15H,6-7,9H2,1-4H3.
What are the key properties of N-[4-methyl-4-(5-methylfuran-2-yl)pentan-2-yl]cyclopropanamine?
N-[4-methyl-4-(5-methylfuran-2-yl)pentan-2-yl]cyclopropanamine has a molecular weight of 221.34 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-4-(5-methylfuran-2-yl)pentan-2-yl]cyclopropanamine is sourced from PubChem (CID 3692308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).