N-[[4-(cyclopropylmethyl)morpholin-3-yl]methyl]propan-1-amine

C12H24N2O — CID 83100659

IUPACN-[[4-(cyclopropylmethyl)morpholin-3-yl]methyl]propan-1-amine
SMILESCCCNCC1COCCN1CC1CC1
InChIInChI=1S/C12H24N2O/c1-2-5-13-8-12-10-15-7-6-14(12)9-11-3-4-11/h11-13H,2-10H2,1H3
InChIKeyTVUDSZNOVVGTJY-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.10
Rot. Bonds6

About N-[[4-(cyclopropylmethyl)morpholin-3-yl]methyl]propan-1-amine

N-[[4-(cyclopropylmethyl)morpholin-3-yl]methyl]propan-1-amine (PubChem CID 83100659) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is N-[[4-(cyclopropylmethyl)morpholin-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-(cyclopropylmethyl)morpholin-3-yl]methyl]propan-1-amine
PubChem CID83100659
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC NameN-[[4-(cyclopropylmethyl)morpholin-3-yl]methyl]propan-1-amine
SMILESCCCNCC1COCCN1CC1CC1
InChIInChI=1S/C12H24N2O/c1-2-5-13-8-12-10-15-7-6-14(12)9-11-3-4-11/h11-13H,2-10H2,1H3
InChIKeyTVUDSZNOVVGTJY-UHFFFAOYSA-N
XLogP1.10
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(cyclopropylmethyl)morpholin-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[4-(cyclopropylmethyl)morpholin-3-yl]methyl]propan-1-amine (CID 83100659) is N-[[4-(cyclopropylmethyl)morpholin-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-(cyclopropylmethyl)morpholin-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-(cyclopropylmethyl)morpholin-3-yl]methyl]propan-1-amine is CCCNCC1COCCN1CC1CC1.
What is the InChIKey of N-[[4-(cyclopropylmethyl)morpholin-3-yl]methyl]propan-1-amine?
The InChIKey is TVUDSZNOVVGTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-2-5-13-8-12-10-15-7-6-14(12)9-11-3-4-11/h11-13H,2-10H2,1H3.
What are the key properties of N-[[4-(cyclopropylmethyl)morpholin-3-yl]methyl]propan-1-amine?
N-[[4-(cyclopropylmethyl)morpholin-3-yl]methyl]propan-1-amine has a molecular weight of 212.34 g/mol, XLogP of 1.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(cyclopropylmethyl)morpholin-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 83100659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).