1-(aminomethyl)-N-[2-(2-hydroxyethoxy)ethyl]cyclopropane-1-carboxamide

C9H18N2O3 — CID 115453135

IUPAC1-(aminomethyl)-N-[2-(2-hydroxyethoxy)ethyl]cyclopropane-1-carboxamide
SMILESNCC1(C(=O)NCCOCCO)CC1
InChIInChI=1S/C9H18N2O3/c10-7-9(1-2-9)8(13)11-3-5-14-6-4-12/h12H,1-7,10H2,(H,11,13)
InChIKeySLHYZRGVAZMUJY-UHFFFAOYSA-N
MW202.25 g/mol
LogP-1.15
Rot. Bonds7

About 1-(aminomethyl)-N-[2-(2-hydroxyethoxy)ethyl]cyclopropane-1-carboxamide

1-(aminomethyl)-N-[2-(2-hydroxyethoxy)ethyl]cyclopropane-1-carboxamide (PubChem CID 115453135) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[2-(2-hydroxyethoxy)ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[2-(2-hydroxyethoxy)ethyl]cyclopropane-1-carboxamide
PubChem CID115453135
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name1-(aminomethyl)-N-[2-(2-hydroxyethoxy)ethyl]cyclopropane-1-carboxamide
SMILESNCC1(C(=O)NCCOCCO)CC1
InChIInChI=1S/C9H18N2O3/c10-7-9(1-2-9)8(13)11-3-5-14-6-4-12/h12H,1-7,10H2,(H,11,13)
InChIKeySLHYZRGVAZMUJY-UHFFFAOYSA-N
XLogP-1.15
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-1.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(aminomethyl)-N-[2-(2-amino-2-oxoethoxy)ethyl]cyclohexane-1-carboxamide
CID 106235064
1-(aminomethyl)-N-(4-hydroxybutyl)cyclobutane-1-carboxamide
CID 106842065
4-(aminomethyl)-N-[2-(2-amino-2-oxoethoxy)ethyl]oxane-4-carboxamide
CID 106235075
1-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119755575
1-(aminomethyl)-N-(5-hydroxypentyl)cyclohexane-1-carboxamide
CID 107317645
1-(aminomethyl)-N-[3-(cyclopropylmethoxy)propyl]cyclopropane-1-carboxamide
CID 115452262
3-amino-N-[2-(2-hydroxyethoxy)ethyl]propanamide
CID 61274475
1-(aminomethyl)-N-(3-amino-3-oxopropyl)cyclopropane-1-carboxamide
CID 80588317
4-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]oxane-4-carboxamide
CID 114097725
1-(aminomethyl)-N-[3-(dimethylamino)propyl]cyclopropane-1-carboxamide
CID 80587383
2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethylurea
CID 71392373
2-amino-N-[2-[2-(2-hydroxyethoxy)ethylamino]-2-oxoethyl]acetamide
CID 61274286

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[2-(2-hydroxyethoxy)ethyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[2-(2-hydroxyethoxy)ethyl]cyclopropane-1-carboxamide (CID 115453135) is 1-(aminomethyl)-N-[2-(2-hydroxyethoxy)ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[2-(2-hydroxyethoxy)ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[2-(2-hydroxyethoxy)ethyl]cyclopropane-1-carboxamide is NCC1(C(=O)NCCOCCO)CC1.
What is the InChIKey of 1-(aminomethyl)-N-[2-(2-hydroxyethoxy)ethyl]cyclopropane-1-carboxamide?
The InChIKey is SLHYZRGVAZMUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c10-7-9(1-2-9)8(13)11-3-5-14-6-4-12/h12H,1-7,10H2,(H,11,13).
What are the key properties of 1-(aminomethyl)-N-[2-(2-hydroxyethoxy)ethyl]cyclopropane-1-carboxamide?
1-(aminomethyl)-N-[2-(2-hydroxyethoxy)ethyl]cyclopropane-1-carboxamide has a molecular weight of 202.25 g/mol, XLogP of -1.15, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[2-(2-hydroxyethoxy)ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 115453135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).