N-(cyclopropylmethyl)oxan-4-amine

C9H17NO — CID 43608325

IUPACN-(cyclopropylmethyl)oxan-4-amine
SMILESC1CC(NCC2CC2)CCO1
InChIInChI=1S/C9H17NO/c1-2-8(1)7-10-9-3-5-11-6-4-9/h8-10H,1-7H2
InChIKeySOPWDDPARFLJNK-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.16
Rot. Bonds3

About N-(cyclopropylmethyl)oxan-4-amine

N-(cyclopropylmethyl)oxan-4-amine (PubChem CID 43608325) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is N-(cyclopropylmethyl)oxan-4-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)oxan-4-amine
PubChem CID43608325
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC NameN-(cyclopropylmethyl)oxan-4-amine
SMILESC1CC(NCC2CC2)CCO1
InChIInChI=1S/C9H17NO/c1-2-8(1)7-10-9-3-5-11-6-4-9/h8-10H,1-7H2
InChIKeySOPWDDPARFLJNK-UHFFFAOYSA-N
XLogP1.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)oxan-4-amine?
The IUPAC name of N-(cyclopropylmethyl)oxan-4-amine (CID 43608325) is N-(cyclopropylmethyl)oxan-4-amine.
What is the SMILES notation for N-(cyclopropylmethyl)oxan-4-amine?
The canonical SMILES for N-(cyclopropylmethyl)oxan-4-amine is C1CC(NCC2CC2)CCO1.
What is the InChIKey of N-(cyclopropylmethyl)oxan-4-amine?
The InChIKey is SOPWDDPARFLJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-2-8(1)7-10-9-3-5-11-6-4-9/h8-10H,1-7H2.
What are the key properties of N-(cyclopropylmethyl)oxan-4-amine?
N-(cyclopropylmethyl)oxan-4-amine has a molecular weight of 155.24 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)oxan-4-amine is sourced from PubChem (CID 43608325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).