cyclopropanamine;propan-1-amine

C6H16N2 — CID 19917220

IUPACcyclopropanamine;propan-1-amine
SMILESCCCN.NC1CC1
InChIInChI=1S/C3H7N.C3H9N/c4-3-1-2-3;1-2-3-4/h3H,1-2,4H2;2-4H2,1H3
InChIKeyLUPPGMQPTMLRCH-UHFFFAOYSA-N
MW116.21 g/mol
LogP0.46
Rot. Bonds1

About cyclopropanamine;propan-1-amine

cyclopropanamine;propan-1-amine (PubChem CID 19917220) has the molecular formula C6H16N2 and a molecular weight of 116.21 g/mol. Its IUPAC name is cyclopropanamine;propan-1-amine.

Molecular Properties

Compound Namecyclopropanamine;propan-1-amine
PubChem CID19917220
Molecular FormulaC6H16N2
Molecular Weight116.21 g/mol
Exact Mass116.13
IUPAC Namecyclopropanamine;propan-1-amine
SMILESCCCN.NC1CC1
InChIInChI=1S/C3H7N.C3H9N/c4-3-1-2-3;1-2-3-4/h3H,1-2,4H2;2-4H2,1H3
InChIKeyLUPPGMQPTMLRCH-UHFFFAOYSA-N
XLogP0.46
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.21
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclopropanamine;propan-1-amine?
The IUPAC name of cyclopropanamine;propan-1-amine (CID 19917220) is cyclopropanamine;propan-1-amine.
What is the SMILES notation for cyclopropanamine;propan-1-amine?
The canonical SMILES for cyclopropanamine;propan-1-amine is CCCN.NC1CC1.
What is the InChIKey of cyclopropanamine;propan-1-amine?
The InChIKey is LUPPGMQPTMLRCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7N.C3H9N/c4-3-1-2-3;1-2-3-4/h3H,1-2,4H2;2-4H2,1H3.
What are the key properties of cyclopropanamine;propan-1-amine?
cyclopropanamine;propan-1-amine has a molecular weight of 116.21 g/mol, XLogP of 0.46, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropanamine;propan-1-amine is sourced from PubChem (CID 19917220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).