N-ethyl-2-methyl-N-(2-methylpropyl)propan-1-amine;3H-pyrrole

C14H28N2 — CID 178176198

IUPACN-ethyl-2-methyl-N-(2-methylpropyl)propan-1-amine;3H-pyrrole
SMILESC1=CN=CC1.CCN(CC(C)C)CC(C)C
InChIInChI=1S/C10H23N.C4H5N/c1-6-11(7-9(2)3)8-10(4)5;1-2-4-5-3-1/h9-10H,6-8H2,1-5H3;1,3-4H,2H2
InChIKeyMQSXXKWUPLDDDI-UHFFFAOYSA-N
MW224.39 g/mol
LogP3.59
Rot. Bonds5

About N-ethyl-2-methyl-N-(2-methylpropyl)propan-1-amine;3H-pyrrole

N-ethyl-2-methyl-N-(2-methylpropyl)propan-1-amine;3H-pyrrole (PubChem CID 178176198) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is N-ethyl-2-methyl-N-(2-methylpropyl)propan-1-amine;3H-pyrrole.

Molecular Properties

Compound NameN-ethyl-2-methyl-N-(2-methylpropyl)propan-1-amine;3H-pyrrole
PubChem CID178176198
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC NameN-ethyl-2-methyl-N-(2-methylpropyl)propan-1-amine;3H-pyrrole
SMILESC1=CN=CC1.CCN(CC(C)C)CC(C)C
InChIInChI=1S/C10H23N.C4H5N/c1-6-11(7-9(2)3)8-10(4)5;1-2-4-5-3-1/h9-10H,6-8H2,1-5H3;1,3-4H,2H2
InChIKeyMQSXXKWUPLDDDI-UHFFFAOYSA-N
XLogP3.59
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-N-(2-methylpropyl)propan-1-amine;3H-pyrrole?
The IUPAC name of N-ethyl-2-methyl-N-(2-methylpropyl)propan-1-amine;3H-pyrrole (CID 178176198) is N-ethyl-2-methyl-N-(2-methylpropyl)propan-1-amine;3H-pyrrole.
What is the SMILES notation for N-ethyl-2-methyl-N-(2-methylpropyl)propan-1-amine;3H-pyrrole?
The canonical SMILES for N-ethyl-2-methyl-N-(2-methylpropyl)propan-1-amine;3H-pyrrole is C1=CN=CC1.CCN(CC(C)C)CC(C)C.
What is the InChIKey of N-ethyl-2-methyl-N-(2-methylpropyl)propan-1-amine;3H-pyrrole?
The InChIKey is MQSXXKWUPLDDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N.C4H5N/c1-6-11(7-9(2)3)8-10(4)5;1-2-4-5-3-1/h9-10H,6-8H2,1-5H3;1,3-4H,2H2.
What are the key properties of N-ethyl-2-methyl-N-(2-methylpropyl)propan-1-amine;3H-pyrrole?
N-ethyl-2-methyl-N-(2-methylpropyl)propan-1-amine;3H-pyrrole has a molecular weight of 224.39 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-N-(2-methylpropyl)propan-1-amine;3H-pyrrole is sourced from PubChem (CID 178176198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).