N-[4-amino-1-(4-ethyl-1,1-dimethylpyrrolidin-1-ium-3-yl)hexan-2-yl]formamide

C15H32N3O+ — CID 118297970

IUPACN-[4-amino-1-(4-ethyl-1,1-dimethylpyrrolidin-1-ium-3-yl)hexan-2-yl]formamide
SMILESCCC(N)CC(CC1C[N+](C)(C)CC1CC)NC=O
InChIInChI=1S/C15H31N3O/c1-5-12-9-18(3,4)10-13(12)7-15(17-11-19)8-14(16)6-2/h11-15H,5-10,16H2,1-4H3/p+1
InChIKeyMWAVBVSVBKYVIB-UHFFFAOYSA-O
MW270.44 g/mol
LogP1.35
Rot. Bonds8

About N-[4-amino-1-(4-ethyl-1,1-dimethylpyrrolidin-1-ium-3-yl)hexan-2-yl]formamide

N-[4-amino-1-(4-ethyl-1,1-dimethylpyrrolidin-1-ium-3-yl)hexan-2-yl]formamide (PubChem CID 118297970) has the molecular formula C15H32N3O+ and a molecular weight of 270.44 g/mol. Its IUPAC name is N-[4-amino-1-(4-ethyl-1,1-dimethylpyrrolidin-1-ium-3-yl)hexan-2-yl]formamide.

Molecular Properties

Compound NameN-[4-amino-1-(4-ethyl-1,1-dimethylpyrrolidin-1-ium-3-yl)hexan-2-yl]formamide
PubChem CID118297970
Molecular FormulaC15H32N3O+
Molecular Weight270.44 g/mol
Exact Mass270.25
IUPAC NameN-[4-amino-1-(4-ethyl-1,1-dimethylpyrrolidin-1-ium-3-yl)hexan-2-yl]formamide
SMILESCCC(N)CC(CC1C[N+](C)(C)CC1CC)NC=O
InChIInChI=1S/C15H31N3O/c1-5-12-9-18(3,4)10-13(12)7-15(17-11-19)8-14(16)6-2/h11-15H,5-10,16H2,1-4H3/p+1
InChIKeyMWAVBVSVBKYVIB-UHFFFAOYSA-O
XLogP1.35
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-amino-1-(4-ethyl-1,1-dimethylpyrrolidin-1-ium-3-yl)hexan-2-yl]formamide?
The IUPAC name of N-[4-amino-1-(4-ethyl-1,1-dimethylpyrrolidin-1-ium-3-yl)hexan-2-yl]formamide (CID 118297970) is N-[4-amino-1-(4-ethyl-1,1-dimethylpyrrolidin-1-ium-3-yl)hexan-2-yl]formamide.
What is the SMILES notation for N-[4-amino-1-(4-ethyl-1,1-dimethylpyrrolidin-1-ium-3-yl)hexan-2-yl]formamide?
The canonical SMILES for N-[4-amino-1-(4-ethyl-1,1-dimethylpyrrolidin-1-ium-3-yl)hexan-2-yl]formamide is CCC(N)CC(CC1C[N+](C)(C)CC1CC)NC=O.
What is the InChIKey of N-[4-amino-1-(4-ethyl-1,1-dimethylpyrrolidin-1-ium-3-yl)hexan-2-yl]formamide?
The InChIKey is MWAVBVSVBKYVIB-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H31N3O/c1-5-12-9-18(3,4)10-13(12)7-15(17-11-19)8-14(16)6-2/h11-15H,5-10,16H2,1-4H3/p+1.
What are the key properties of N-[4-amino-1-(4-ethyl-1,1-dimethylpyrrolidin-1-ium-3-yl)hexan-2-yl]formamide?
N-[4-amino-1-(4-ethyl-1,1-dimethylpyrrolidin-1-ium-3-yl)hexan-2-yl]formamide has a molecular weight of 270.44 g/mol, XLogP of 1.35, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-1-(4-ethyl-1,1-dimethylpyrrolidin-1-ium-3-yl)hexan-2-yl]formamide is sourced from PubChem (CID 118297970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).