tert-butyl N-[2-[(4-propan-2-ylcycloheptyl)amino]cyclopropyl]carbamate

C18H34N2O2 — CID 107237703

IUPACtert-butyl N-[2-[(4-propan-2-ylcycloheptyl)amino]cyclopropyl]carbamate
SMILESCC(C)C1CCCC(NC2CC2NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C18H34N2O2/c1-12(2)13-7-6-8-14(10-9-13)19-15-11-16(15)20-17(21)22-18(3,4)5/h12-16,19H,6-11H2,1-5H3,(H,20,21)
InChIKeyDSYWBQWQEGGSOR-UHFFFAOYSA-N
MW310.48 g/mol
LogP3.85
Rot. Bonds4

About tert-butyl N-[2-[(4-propan-2-ylcycloheptyl)amino]cyclopropyl]carbamate

tert-butyl N-[2-[(4-propan-2-ylcycloheptyl)amino]cyclopropyl]carbamate (PubChem CID 107237703) has the molecular formula C18H34N2O2 and a molecular weight of 310.48 g/mol. Its IUPAC name is tert-butyl N-[2-[(4-propan-2-ylcycloheptyl)amino]cyclopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(4-propan-2-ylcycloheptyl)amino]cyclopropyl]carbamate
PubChem CID107237703
Molecular FormulaC18H34N2O2
Molecular Weight310.48 g/mol
Exact Mass310.26
IUPAC Nametert-butyl N-[2-[(4-propan-2-ylcycloheptyl)amino]cyclopropyl]carbamate
SMILESCC(C)C1CCCC(NC2CC2NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C18H34N2O2/c1-12(2)13-7-6-8-14(10-9-13)19-15-11-16(15)20-17(21)22-18(3,4)5/h12-16,19H,6-11H2,1-5H3,(H,20,21)
InChIKeyDSYWBQWQEGGSOR-UHFFFAOYSA-N
XLogP3.85
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.48
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-[(3-methylcyclohexyl)amino]cyclopropyl]carbamate
CID 107238142
tert-butyl N-[2-[[3-(2-methylpropyl)cyclohexyl]amino]cyclopropyl]carbamate
CID 107428855
tert-butyl N-[2-[[4-(trifluoromethyl)cyclohexyl]amino]cyclopropyl]carbamate
CID 107238283
tert-butyl N-[2-[(3-ethylcyclohexyl)amino]cyclopropyl]carbamate
CID 107237906
tert-butyl N-[4-[(3-propan-2-ylcyclobutyl)amino]cyclohexyl]carbamate
CID 103578438
tert-butyl N-[(1S,2S)-2-(cyclohexylamino)cyclohexyl]carbamate
CID 129409949
tert-butyl N-[3-(cyclobutylamino)cyclopentyl]carbamate
CID 79461260
tert-butyl N-[2-[(3-methoxycyclobutyl)amino]cyclopropyl]carbamate
CID 107238333
tert-butyl N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 22884203
tert-butyl N-[2-[(1-methylpiperidin-4-yl)amino]cyclopentyl]carbamate
CID 86794453
tert-butyl N-[2-[(4-ethylcycloheptyl)amino]cyclopentyl]carbamate
CID 107243613
tert-butyl N-[(1S,3S)-3-(2-methylpropanoylamino)cyclohexyl]carbamate
CID 99581442

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(4-propan-2-ylcycloheptyl)amino]cyclopropyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(4-propan-2-ylcycloheptyl)amino]cyclopropyl]carbamate (CID 107237703) is tert-butyl N-[2-[(4-propan-2-ylcycloheptyl)amino]cyclopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(4-propan-2-ylcycloheptyl)amino]cyclopropyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(4-propan-2-ylcycloheptyl)amino]cyclopropyl]carbamate is CC(C)C1CCCC(NC2CC2NC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[2-[(4-propan-2-ylcycloheptyl)amino]cyclopropyl]carbamate?
The InChIKey is DSYWBQWQEGGSOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O2/c1-12(2)13-7-6-8-14(10-9-13)19-15-11-16(15)20-17(21)22-18(3,4)5/h12-16,19H,6-11H2,1-5H3,(H,20,21).
What are the key properties of tert-butyl N-[2-[(4-propan-2-ylcycloheptyl)amino]cyclopropyl]carbamate?
tert-butyl N-[2-[(4-propan-2-ylcycloheptyl)amino]cyclopropyl]carbamate has a molecular weight of 310.48 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(4-propan-2-ylcycloheptyl)amino]cyclopropyl]carbamate is sourced from PubChem (CID 107237703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).