2-(3-azaspiro[5.5]undecan-3-yl)-N-(cyclopropylmethyl)ethanamine

C16H30N2 — CID 62932691

IUPAC2-(3-azaspiro[5.5]undecan-3-yl)-N-(cyclopropylmethyl)ethanamine
SMILESC1CCC2(CC1)CCN(CCNCC1CC1)CC2
InChIInChI=1S/C16H30N2/c1-2-6-16(7-3-1)8-11-18(12-9-16)13-10-17-14-15-4-5-15/h15,17H,1-14H2
InChIKeyMSFDKMCGDLWANT-UHFFFAOYSA-N
MW250.43 g/mol
LogP3.03
Rot. Bonds5

About 2-(3-azaspiro[5.5]undecan-3-yl)-N-(cyclopropylmethyl)ethanamine

2-(3-azaspiro[5.5]undecan-3-yl)-N-(cyclopropylmethyl)ethanamine (PubChem CID 62932691) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 2-(3-azaspiro[5.5]undecan-3-yl)-N-(cyclopropylmethyl)ethanamine.

Molecular Properties

Compound Name2-(3-azaspiro[5.5]undecan-3-yl)-N-(cyclopropylmethyl)ethanamine
PubChem CID62932691
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name2-(3-azaspiro[5.5]undecan-3-yl)-N-(cyclopropylmethyl)ethanamine
SMILESC1CCC2(CC1)CCN(CCNCC1CC1)CC2
InChIInChI=1S/C16H30N2/c1-2-6-16(7-3-1)8-11-18(12-9-16)13-10-17-14-15-4-5-15/h15,17H,1-14H2
InChIKeyMSFDKMCGDLWANT-UHFFFAOYSA-N
XLogP3.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-(3-azaspiro[5.5]undecan-3-yl)-N-(cyclopropylmethyl)ethanamine?
The IUPAC name of 2-(3-azaspiro[5.5]undecan-3-yl)-N-(cyclopropylmethyl)ethanamine (CID 62932691) is 2-(3-azaspiro[5.5]undecan-3-yl)-N-(cyclopropylmethyl)ethanamine.
What is the SMILES notation for 2-(3-azaspiro[5.5]undecan-3-yl)-N-(cyclopropylmethyl)ethanamine?
The canonical SMILES for 2-(3-azaspiro[5.5]undecan-3-yl)-N-(cyclopropylmethyl)ethanamine is C1CCC2(CC1)CCN(CCNCC1CC1)CC2.
What is the InChIKey of 2-(3-azaspiro[5.5]undecan-3-yl)-N-(cyclopropylmethyl)ethanamine?
The InChIKey is MSFDKMCGDLWANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-2-6-16(7-3-1)8-11-18(12-9-16)13-10-17-14-15-4-5-15/h15,17H,1-14H2.
What are the key properties of 2-(3-azaspiro[5.5]undecan-3-yl)-N-(cyclopropylmethyl)ethanamine?
2-(3-azaspiro[5.5]undecan-3-yl)-N-(cyclopropylmethyl)ethanamine has a molecular weight of 250.43 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-azaspiro[5.5]undecan-3-yl)-N-(cyclopropylmethyl)ethanamine is sourced from PubChem (CID 62932691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).