tert-butyl N-[4-amino-3-(cyclopentylamino)butyl]carbamate

C14H29N3O2 — CID 102730201

IUPACtert-butyl N-[4-amino-3-(cyclopentylamino)butyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC(CN)NC1CCCC1
InChIInChI=1S/C14H29N3O2/c1-14(2,3)19-13(18)16-9-8-12(10-15)17-11-6-4-5-7-11/h11-12,17H,4-10,15H2,1-3H3,(H,16,18)
InChIKeyFGMSPMMAMXDPHI-UHFFFAOYSA-N
MW271.40 g/mol
LogP1.76
Rot. Bonds6

About tert-butyl N-[4-amino-3-(cyclopentylamino)butyl]carbamate

tert-butyl N-[4-amino-3-(cyclopentylamino)butyl]carbamate (PubChem CID 102730201) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is tert-butyl N-[4-amino-3-(cyclopentylamino)butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-amino-3-(cyclopentylamino)butyl]carbamate
PubChem CID102730201
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC Nametert-butyl N-[4-amino-3-(cyclopentylamino)butyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC(CN)NC1CCCC1
InChIInChI=1S/C14H29N3O2/c1-14(2,3)19-13(18)16-9-8-12(10-15)17-11-6-4-5-7-11/h11-12,17H,4-10,15H2,1-3H3,(H,16,18)
InChIKeyFGMSPMMAMXDPHI-UHFFFAOYSA-N
XLogP1.76
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-(cyclohexylamino)-4-methylpentyl]carbamate
CID 107252262
tert-butyl N-[2-(cycloheptylamino)hexyl]carbamate
CID 107256430
tert-butyl N-[4-amino-3-(cyclopropylamino)-4-oxobutyl]carbamate
CID 102730728
tert-butyl N-[(3S)-3-cyclohexyl-3-hydroxypropyl]carbamate
CID 129387440
tert-butyl N-[2-(cycloheptylamino)propyl]carbamate
CID 103387396
tert-butyl N-[(2S)-1-amino-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentan-2-yl]carbamate
CID 57440197
tert-butyl N-[2-(cyclododecylamino)ethyl]carbamate
CID 107241352
tert-butyl N-[4-amino-3-(5-hydroxypentan-2-ylamino)butyl]carbamate
CID 102730359
tert-butyl N-(4-amino-3-piperidin-1-ylbutyl)carbamate
CID 102729464
tert-butyl N-[2-[(4-methylcycloheptyl)amino]pentyl]carbamate
CID 107253589
tert-butyl N-[2-[(4-ethylcycloheptyl)amino]pentyl]carbamate
CID 107253652
tert-butyl N-[3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4-aminobutyl]carbamate
CID 102730168

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-amino-3-(cyclopentylamino)butyl]carbamate?
The IUPAC name of tert-butyl N-[4-amino-3-(cyclopentylamino)butyl]carbamate (CID 102730201) is tert-butyl N-[4-amino-3-(cyclopentylamino)butyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-amino-3-(cyclopentylamino)butyl]carbamate?
The canonical SMILES for tert-butyl N-[4-amino-3-(cyclopentylamino)butyl]carbamate is CC(C)(C)OC(=O)NCCC(CN)NC1CCCC1.
What is the InChIKey of tert-butyl N-[4-amino-3-(cyclopentylamino)butyl]carbamate?
The InChIKey is FGMSPMMAMXDPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-14(2,3)19-13(18)16-9-8-12(10-15)17-11-6-4-5-7-11/h11-12,17H,4-10,15H2,1-3H3,(H,16,18).
What are the key properties of tert-butyl N-[4-amino-3-(cyclopentylamino)butyl]carbamate?
tert-butyl N-[4-amino-3-(cyclopentylamino)butyl]carbamate has a molecular weight of 271.40 g/mol, XLogP of 1.76, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-amino-3-(cyclopentylamino)butyl]carbamate is sourced from PubChem (CID 102730201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).