tert-butyl N-[2-[[1-(hydroxymethyl)cyclohexyl]methylamino]cyclopropyl]carbamate

C16H30N2O3 — CID 107237595

IUPACtert-butyl N-[2-[[1-(hydroxymethyl)cyclohexyl]methylamino]cyclopropyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC1NCC1(CO)CCCCC1
InChIInChI=1S/C16H30N2O3/c1-15(2,3)21-14(20)18-13-9-12(13)17-10-16(11-19)7-5-4-6-8-16/h12-13,17,19H,4-11H2,1-3H3,(H,18,20)
InChIKeyZDQFLBYNYPKFHF-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.18
Rot. Bonds5

About tert-butyl N-[2-[[1-(hydroxymethyl)cyclohexyl]methylamino]cyclopropyl]carbamate

tert-butyl N-[2-[[1-(hydroxymethyl)cyclohexyl]methylamino]cyclopropyl]carbamate (PubChem CID 107237595) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is tert-butyl N-[2-[[1-(hydroxymethyl)cyclohexyl]methylamino]cyclopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[1-(hydroxymethyl)cyclohexyl]methylamino]cyclopropyl]carbamate
PubChem CID107237595
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Nametert-butyl N-[2-[[1-(hydroxymethyl)cyclohexyl]methylamino]cyclopropyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC1NCC1(CO)CCCCC1
InChIInChI=1S/C16H30N2O3/c1-15(2,3)21-14(20)18-13-9-12(13)17-10-16(11-19)7-5-4-6-8-16/h12-13,17,19H,4-11H2,1-3H3,(H,18,20)
InChIKeyZDQFLBYNYPKFHF-UHFFFAOYSA-N
XLogP2.18
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-[[1-(hydroxymethyl)cyclohexyl]methylamino]cyclopentyl]carbamate
CID 104844803
tert-butyl N-[2-(3,3-dimethylbutylamino)cyclopropyl]carbamate
CID 107237984
tert-butyl N-[1-[[1-(hydroxymethyl)cyclohexyl]methylamino]butan-2-yl]carbamate
CID 107250152
tert-butyl N-[3-[[1-(hydroxymethyl)cyclopentyl]methylamino]propyl]carbamate
CID 115358654
4-[[[2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]amino]methyl]benzoic acid
CID 107238255
methyl N-[[1-(hydroxymethyl)cyclohexyl]methyl]carbamate
CID 110292599
tert-butyl N-[2-(3-methylbutylamino)cyclopropyl]carbamate
CID 107237740
tert-butyl 3-[[1-(hydroxymethyl)cyclohexyl]methylamino]propanoate
CID 103263101
tert-butyl N-[2-(oxan-4-ylmethylamino)cyclopropyl]carbamate
CID 107238309
2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]acetic acid
CID 21251921
tert-butyl N-[(1R,2R)-2-methylcyclopropyl]carbamate
CID 121309332
tert-butyl N-[2-[(4-fluorophenyl)methylamino]cyclopropyl]carbamate
CID 107237946

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[1-(hydroxymethyl)cyclohexyl]methylamino]cyclopropyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[1-(hydroxymethyl)cyclohexyl]methylamino]cyclopropyl]carbamate (CID 107237595) is tert-butyl N-[2-[[1-(hydroxymethyl)cyclohexyl]methylamino]cyclopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[1-(hydroxymethyl)cyclohexyl]methylamino]cyclopropyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[1-(hydroxymethyl)cyclohexyl]methylamino]cyclopropyl]carbamate is CC(C)(C)OC(=O)NC1CC1NCC1(CO)CCCCC1.
What is the InChIKey of tert-butyl N-[2-[[1-(hydroxymethyl)cyclohexyl]methylamino]cyclopropyl]carbamate?
The InChIKey is ZDQFLBYNYPKFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-15(2,3)21-14(20)18-13-9-12(13)17-10-16(11-19)7-5-4-6-8-16/h12-13,17,19H,4-11H2,1-3H3,(H,18,20).
What are the key properties of tert-butyl N-[2-[[1-(hydroxymethyl)cyclohexyl]methylamino]cyclopropyl]carbamate?
tert-butyl N-[2-[[1-(hydroxymethyl)cyclohexyl]methylamino]cyclopropyl]carbamate has a molecular weight of 298.43 g/mol, XLogP of 2.18, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[1-(hydroxymethyl)cyclohexyl]methylamino]cyclopropyl]carbamate is sourced from PubChem (CID 107237595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).