N-tert-butyl-4-(3,4-dimethoxypyrrolidin-1-yl)pentan-1-amine

C15H32N2O2 — CID 103539948

IUPACN-tert-butyl-4-(3,4-dimethoxypyrrolidin-1-yl)pentan-1-amine
SMILESCOC1CN(C(C)CCCNC(C)(C)C)CC1OC
InChIInChI=1S/C15H32N2O2/c1-12(8-7-9-16-15(2,3)4)17-10-13(18-5)14(11-17)19-6/h12-14,16H,7-11H2,1-6H3
InChIKeyGETCCNDNZUSUPA-UHFFFAOYSA-N
MW272.43 g/mol
LogP1.89
Rot. Bonds7

About N-tert-butyl-4-(3,4-dimethoxypyrrolidin-1-yl)pentan-1-amine

N-tert-butyl-4-(3,4-dimethoxypyrrolidin-1-yl)pentan-1-amine (PubChem CID 103539948) has the molecular formula C15H32N2O2 and a molecular weight of 272.43 g/mol. Its IUPAC name is N-tert-butyl-4-(3,4-dimethoxypyrrolidin-1-yl)pentan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-4-(3,4-dimethoxypyrrolidin-1-yl)pentan-1-amine
PubChem CID103539948
Molecular FormulaC15H32N2O2
Molecular Weight272.43 g/mol
Exact Mass272.25
IUPAC NameN-tert-butyl-4-(3,4-dimethoxypyrrolidin-1-yl)pentan-1-amine
SMILESCOC1CN(C(C)CCCNC(C)(C)C)CC1OC
InChIInChI=1S/C15H32N2O2/c1-12(8-7-9-16-15(2,3)4)17-10-13(18-5)14(11-17)19-6/h12-14,16H,7-11H2,1-6H3
InChIKeyGETCCNDNZUSUPA-UHFFFAOYSA-N
XLogP1.89
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-4-piperidin-1-ylpentan-1-amine
CID 55137410
4-(4-butan-2-ylpiperazin-1-yl)-N-tert-butylpentan-1-amine
CID 62774850
N-tert-butyl-4-(3-methylpyrrolidin-1-yl)pentan-1-amine
CID 62426058
N-tert-butyl-4-(4-ethylpiperidin-1-yl)pentan-1-amine
CID 62413264
N-tert-butyl-4-(4-methylsulfanylpiperidin-1-yl)pentan-1-amine
CID 114238304
2-(3,4-dimethoxypyrrolidin-1-yl)-N-ethylpropan-1-amine
CID 103539835
N-tert-butyl-4-(3-propylpyrrolidin-1-yl)pentan-1-amine
CID 113419069
N-tert-butyl-3-(3,4,5-trimethylpiperazin-1-yl)butan-1-amine
CID 114540096
N-tert-butyl-4-methoxypentan-1-amine
CID 62444088
4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-tert-butylpentan-1-amine
CID 102728546
2-(3,4-dimethoxypyrrolidin-1-yl)-N-propylpentan-3-amine
CID 103532489
N-tert-butyl-4-(2-propylpiperidin-1-yl)pentan-1-amine
CID 83061621

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(3,4-dimethoxypyrrolidin-1-yl)pentan-1-amine?
The IUPAC name of N-tert-butyl-4-(3,4-dimethoxypyrrolidin-1-yl)pentan-1-amine (CID 103539948) is N-tert-butyl-4-(3,4-dimethoxypyrrolidin-1-yl)pentan-1-amine.
What is the SMILES notation for N-tert-butyl-4-(3,4-dimethoxypyrrolidin-1-yl)pentan-1-amine?
The canonical SMILES for N-tert-butyl-4-(3,4-dimethoxypyrrolidin-1-yl)pentan-1-amine is COC1CN(C(C)CCCNC(C)(C)C)CC1OC.
What is the InChIKey of N-tert-butyl-4-(3,4-dimethoxypyrrolidin-1-yl)pentan-1-amine?
The InChIKey is GETCCNDNZUSUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O2/c1-12(8-7-9-16-15(2,3)4)17-10-13(18-5)14(11-17)19-6/h12-14,16H,7-11H2,1-6H3.
What are the key properties of N-tert-butyl-4-(3,4-dimethoxypyrrolidin-1-yl)pentan-1-amine?
N-tert-butyl-4-(3,4-dimethoxypyrrolidin-1-yl)pentan-1-amine has a molecular weight of 272.43 g/mol, XLogP of 1.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(3,4-dimethoxypyrrolidin-1-yl)pentan-1-amine is sourced from PubChem (CID 103539948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).