(3S)-4-cycloundecyl-1-(2-methoxyethyl)pyrrolidin-3-amine

C18H36N2O — CID 146237730

IUPAC(3S)-4-cycloundecyl-1-(2-methoxyethyl)pyrrolidin-3-amine
SMILESCOCCN1CC(C2CCCCCCCCCC2)[C@H](N)C1
InChIInChI=1S/C18H36N2O/c1-21-13-12-20-14-17(18(19)15-20)16-10-8-6-4-2-3-5-7-9-11-16/h16-18H,2-15,19H2,1H3/t17?,18-/m1/s1
InChIKeyBYAPNMYVEVXHFK-QRWMCTBCSA-N
MW296.50 g/mol
LogP3.42
Rot. Bonds4

About (3S)-4-cycloundecyl-1-(2-methoxyethyl)pyrrolidin-3-amine

(3S)-4-cycloundecyl-1-(2-methoxyethyl)pyrrolidin-3-amine (PubChem CID 146237730) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is (3S)-4-cycloundecyl-1-(2-methoxyethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-4-cycloundecyl-1-(2-methoxyethyl)pyrrolidin-3-amine
PubChem CID146237730
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC Name(3S)-4-cycloundecyl-1-(2-methoxyethyl)pyrrolidin-3-amine
SMILESCOCCN1CC(C2CCCCCCCCCC2)[C@H](N)C1
InChIInChI=1S/C18H36N2O/c1-21-13-12-20-14-17(18(19)15-20)16-10-8-6-4-2-3-5-7-9-11-16/h16-18H,2-15,19H2,1H3/t17?,18-/m1/s1
InChIKeyBYAPNMYVEVXHFK-QRWMCTBCSA-N
XLogP3.42
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-4-cycloundecyl-1-(2-methoxyethyl)pyrrolidin-3-amine?
The IUPAC name of (3S)-4-cycloundecyl-1-(2-methoxyethyl)pyrrolidin-3-amine (CID 146237730) is (3S)-4-cycloundecyl-1-(2-methoxyethyl)pyrrolidin-3-amine.
What is the SMILES notation for (3S)-4-cycloundecyl-1-(2-methoxyethyl)pyrrolidin-3-amine?
The canonical SMILES for (3S)-4-cycloundecyl-1-(2-methoxyethyl)pyrrolidin-3-amine is COCCN1CC(C2CCCCCCCCCC2)[C@H](N)C1.
What is the InChIKey of (3S)-4-cycloundecyl-1-(2-methoxyethyl)pyrrolidin-3-amine?
The InChIKey is BYAPNMYVEVXHFK-QRWMCTBCSA-N. The full InChI is InChI=1S/C18H36N2O/c1-21-13-12-20-14-17(18(19)15-20)16-10-8-6-4-2-3-5-7-9-11-16/h16-18H,2-15,19H2,1H3/t17?,18-/m1/s1.
What are the key properties of (3S)-4-cycloundecyl-1-(2-methoxyethyl)pyrrolidin-3-amine?
(3S)-4-cycloundecyl-1-(2-methoxyethyl)pyrrolidin-3-amine has a molecular weight of 296.50 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-cycloundecyl-1-(2-methoxyethyl)pyrrolidin-3-amine is sourced from PubChem (CID 146237730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).