tert-butyl N-[3-(2-methylpropylamino)propyl]carbamate

C12H26N2O2 — CID 59722489

IUPACtert-butyl N-[3-(2-methylpropylamino)propyl]carbamate
SMILESCC(C)CNCCCNC(=O)OC(C)(C)C
InChIInChI=1S/C12H26N2O2/c1-10(2)9-13-7-6-8-14-11(15)16-12(3,4)5/h10,13H,6-9H2,1-5H3,(H,14,15)
InChIKeyHWUPIGRVDKLKOQ-UHFFFAOYSA-N
MW230.35 g/mol
LogP2.15
Rot. Bonds6

About tert-butyl N-[3-(2-methylpropylamino)propyl]carbamate

tert-butyl N-[3-(2-methylpropylamino)propyl]carbamate (PubChem CID 59722489) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is tert-butyl N-[3-(2-methylpropylamino)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(2-methylpropylamino)propyl]carbamate
PubChem CID59722489
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Nametert-butyl N-[3-(2-methylpropylamino)propyl]carbamate
SMILESCC(C)CNCCCNC(=O)OC(C)(C)C
InChIInChI=1S/C12H26N2O2/c1-10(2)9-13-7-6-8-14-11(15)16-12(3,4)5/h10,13H,6-9H2,1-5H3,(H,14,15)
InChIKeyHWUPIGRVDKLKOQ-UHFFFAOYSA-N
XLogP2.15
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]propyl]carbamate
CID 10404463
tert-butyl N-[6-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexylamino]hexyl]carbamate
CID 15570048
tert-butyl N-[3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]propyl]carbamate
CID 130174309
2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]acetic acid
CID 5074020
tert-butyl N-[3-[3-(tert-butylamino)propylamino]propyl]carbamate
CID 139566779
tert-butyl N-(6-methylheptyl)carbamate
CID 143166499
tert-butyl N-[(3R)-3-(2-methylpropylamino)butyl]carbamate
CID 90685255
CID 58849446
CID 58849446
tert-butyl N-[3-(decylamino)propyl]carbamate
CID 103821957
tert-butyl N-[2,2-difluoro-3-(2-methylpropylamino)propyl]carbamate
CID 104953993
tert-butyl N-[3-(5-methylhexan-2-ylamino)propyl]carbamate
CID 81344613
tert-butyl N-[(2S)-1-[3-[4-[3-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propylamino]butylamino]propylamino]-1-oxopropan-2-yl]carbamate
CID 11006083

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(2-methylpropylamino)propyl]carbamate?
The IUPAC name of tert-butyl N-[3-(2-methylpropylamino)propyl]carbamate (CID 59722489) is tert-butyl N-[3-(2-methylpropylamino)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(2-methylpropylamino)propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(2-methylpropylamino)propyl]carbamate is CC(C)CNCCCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[3-(2-methylpropylamino)propyl]carbamate?
The InChIKey is HWUPIGRVDKLKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-10(2)9-13-7-6-8-14-11(15)16-12(3,4)5/h10,13H,6-9H2,1-5H3,(H,14,15).
What are the key properties of tert-butyl N-[3-(2-methylpropylamino)propyl]carbamate?
tert-butyl N-[3-(2-methylpropylamino)propyl]carbamate has a molecular weight of 230.35 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(2-methylpropylamino)propyl]carbamate is sourced from PubChem (CID 59722489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).