3-amino-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-5-methylhexan-1-ol

C15H33N3O — CID 114357457

IUPAC3-amino-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-5-methylhexan-1-ol
SMILESCCN1CCCC1CN(C)C(CO)C(N)CC(C)C
InChIInChI=1S/C15H33N3O/c1-5-18-8-6-7-13(18)10-17(4)15(11-19)14(16)9-12(2)3/h12-15,19H,5-11,16H2,1-4H3
InChIKeyUTGUZHDGSLACKE-UHFFFAOYSA-N
MW271.45 g/mol
LogP1.14
Rot. Bonds8

About 3-amino-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-5-methylhexan-1-ol

3-amino-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-5-methylhexan-1-ol (PubChem CID 114357457) has the molecular formula C15H33N3O and a molecular weight of 271.45 g/mol. Its IUPAC name is 3-amino-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-5-methylhexan-1-ol.

Molecular Properties

Compound Name3-amino-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-5-methylhexan-1-ol
PubChem CID114357457
Molecular FormulaC15H33N3O
Molecular Weight271.45 g/mol
Exact Mass271.26
IUPAC Name3-amino-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-5-methylhexan-1-ol
SMILESCCN1CCCC1CN(C)C(CO)C(N)CC(C)C
InChIInChI=1S/C15H33N3O/c1-5-18-8-6-7-13(18)10-17(4)15(11-19)14(16)9-12(2)3/h12-15,19H,5-11,16H2,1-4H3
InChIKeyUTGUZHDGSLACKE-UHFFFAOYSA-N
XLogP1.14
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-N-methylbutane-1,3-diamine
CID 79302990
2-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N,3-dimethyl-1-N-propan-2-ylbutane-1,2-diamine
CID 79312433
3-amino-4-methyl-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pentan-1-ol
CID 114357451
2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]propanimidamide
CID 79313935
3-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-N-methyl-1-N-propan-2-ylbutane-1,3-diamine
CID 79312939
1-cyclopentyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylethane-1,2-diamine
CID 79303331
ethyl 2-amino-4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methylpentanoate
CID 79309508
3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-(propan-2-ylamino)propan-1-ol
CID 79318223
2-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine
CID 103226895
2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-1-(4-methylphenyl)propan-1-one
CID 79310738
(2R)-2-[[(1-ethylpyrrolidin-2-yl)methyl-methylcarbamoyl]amino]-4-methylpentanoic acid
CID 79312017
4-amino-3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-N,N-dimethylbutanamide
CID 79314706

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-5-methylhexan-1-ol?
The IUPAC name of 3-amino-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-5-methylhexan-1-ol (CID 114357457) is 3-amino-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-5-methylhexan-1-ol.
What is the SMILES notation for 3-amino-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-5-methylhexan-1-ol?
The canonical SMILES for 3-amino-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-5-methylhexan-1-ol is CCN1CCCC1CN(C)C(CO)C(N)CC(C)C.
What is the InChIKey of 3-amino-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-5-methylhexan-1-ol?
The InChIKey is UTGUZHDGSLACKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3O/c1-5-18-8-6-7-13(18)10-17(4)15(11-19)14(16)9-12(2)3/h12-15,19H,5-11,16H2,1-4H3.
What are the key properties of 3-amino-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-5-methylhexan-1-ol?
3-amino-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-5-methylhexan-1-ol has a molecular weight of 271.45 g/mol, XLogP of 1.14, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-5-methylhexan-1-ol is sourced from PubChem (CID 114357457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).