3-[[(1-propylcyclopropyl)methylamino]methyl]bicyclo[2.2.1]heptan-2-amine

C15H28N2 — CID 114100654

IUPAC3-[[(1-propylcyclopropyl)methylamino]methyl]bicyclo[2.2.1]heptan-2-amine
SMILESCCCC1(CNCC2C3CCC(C3)C2N)CC1
InChIInChI=1S/C15H28N2/c1-2-5-15(6-7-15)10-17-9-13-11-3-4-12(8-11)14(13)16/h11-14,17H,2-10,16H2,1H3
InChIKeyLSRKGTWPFIWPOO-UHFFFAOYSA-N
MW236.40 g/mol
LogP2.53
Rot. Bonds6

About 3-[[(1-propylcyclopropyl)methylamino]methyl]bicyclo[2.2.1]heptan-2-amine

3-[[(1-propylcyclopropyl)methylamino]methyl]bicyclo[2.2.1]heptan-2-amine (PubChem CID 114100654) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is 3-[[(1-propylcyclopropyl)methylamino]methyl]bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name3-[[(1-propylcyclopropyl)methylamino]methyl]bicyclo[2.2.1]heptan-2-amine
PubChem CID114100654
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name3-[[(1-propylcyclopropyl)methylamino]methyl]bicyclo[2.2.1]heptan-2-amine
SMILESCCCC1(CNCC2C3CCC(C3)C2N)CC1
InChIInChI=1S/C15H28N2/c1-2-5-15(6-7-15)10-17-9-13-11-3-4-12(8-11)14(13)16/h11-14,17H,2-10,16H2,1H3
InChIKeyLSRKGTWPFIWPOO-UHFFFAOYSA-N
XLogP2.53
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[[(1-propylcyclopropyl)methylamino]methyl]bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of 3-[[(1-propylcyclopropyl)methylamino]methyl]bicyclo[2.2.1]heptan-2-amine (CID 114100654) is 3-[[(1-propylcyclopropyl)methylamino]methyl]bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for 3-[[(1-propylcyclopropyl)methylamino]methyl]bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for 3-[[(1-propylcyclopropyl)methylamino]methyl]bicyclo[2.2.1]heptan-2-amine is CCCC1(CNCC2C3CCC(C3)C2N)CC1.
What is the InChIKey of 3-[[(1-propylcyclopropyl)methylamino]methyl]bicyclo[2.2.1]heptan-2-amine?
The InChIKey is LSRKGTWPFIWPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2/c1-2-5-15(6-7-15)10-17-9-13-11-3-4-12(8-11)14(13)16/h11-14,17H,2-10,16H2,1H3.
What are the key properties of 3-[[(1-propylcyclopropyl)methylamino]methyl]bicyclo[2.2.1]heptan-2-amine?
3-[[(1-propylcyclopropyl)methylamino]methyl]bicyclo[2.2.1]heptan-2-amine has a molecular weight of 236.40 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1-propylcyclopropyl)methylamino]methyl]bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 114100654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).