tert-butyl N-[3-[(5-amino-1-methoxypentan-2-yl)amino]-2,2-difluoropropyl]carbamate

C14H29F2N3O3 — CID 107257458

IUPACtert-butyl N-[3-[(5-amino-1-methoxypentan-2-yl)amino]-2,2-difluoropropyl]carbamate
SMILESCOCC(CCCN)NCC(F)(F)CNC(=O)OC(C)(C)C
InChIInChI=1S/C14H29F2N3O3/c1-13(2,3)22-12(20)19-10-14(15,16)9-18-11(8-21-4)6-5-7-17/h11,18H,5-10,17H2,1-4H3,(H,19,20)
InChIKeyLXPZTTCPDNBJBW-UHFFFAOYSA-N
MW325.40 g/mol
LogP1.49
Rot. Bonds10

About tert-butyl N-[3-[(5-amino-1-methoxypentan-2-yl)amino]-2,2-difluoropropyl]carbamate

tert-butyl N-[3-[(5-amino-1-methoxypentan-2-yl)amino]-2,2-difluoropropyl]carbamate (PubChem CID 107257458) has the molecular formula C14H29F2N3O3 and a molecular weight of 325.40 g/mol. Its IUPAC name is tert-butyl N-[3-[(5-amino-1-methoxypentan-2-yl)amino]-2,2-difluoropropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[(5-amino-1-methoxypentan-2-yl)amino]-2,2-difluoropropyl]carbamate
PubChem CID107257458
Molecular FormulaC14H29F2N3O3
Molecular Weight325.40 g/mol
Exact Mass325.22
IUPAC Nametert-butyl N-[3-[(5-amino-1-methoxypentan-2-yl)amino]-2,2-difluoropropyl]carbamate
SMILESCOCC(CCCN)NCC(F)(F)CNC(=O)OC(C)(C)C
InChIInChI=1S/C14H29F2N3O3/c1-13(2,3)22-12(20)19-10-14(15,16)9-18-11(8-21-4)6-5-7-17/h11,18H,5-10,17H2,1-4H3,(H,19,20)
InChIKeyLXPZTTCPDNBJBW-UHFFFAOYSA-N
XLogP1.49
TPSA85.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.40
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[2-[(5-amino-1-methoxypentan-2-yl)amino]ethyl]carbamate
CID 107241392
tert-butyl N-[5-methoxy-4-(2,2,3,3-tetrafluoropropylamino)pentyl]carbamate
CID 106289739
tert-butyl N-[4-[(2-hydroxy-2-methylpropyl)amino]-5-methoxypentyl]carbamate
CID 103390147
tert-butyl N-[2-[(5-amino-1-methoxypentan-2-yl)amino]ethyl]-N-methylcarbamate
CID 107245084
tert-butyl N-[5-methoxy-4-(2-methylpropylamino)pentyl]carbamate
CID 103386975
tert-butyl N-[4-[(5-amino-5-oxopentyl)amino]-5-methoxypentyl]carbamate
CID 106234166
tert-butyl N-[2-[(5-amino-1-methoxypentan-2-yl)amino]ethyl]-N-ethylcarbamate
CID 107245385
2-[(5-amino-1-methoxypentan-2-yl)amino]-N-(2-methoxyethyl)acetamide
CID 103390835
tert-butyl N-[5-methoxy-4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]pentyl]carbamate
CID 103387888
tert-butyl N-[3-(butan-2-ylamino)-2,2-difluoropropyl]carbamate
CID 104955597
tert-butyl N-[4-(2,3-dimethylbutylamino)-5-methoxypentyl]carbamate
CID 103390094
tert-butyl N-[4-(2-cyanoethylamino)-5-methoxypentyl]carbamate
CID 103387651

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(5-amino-1-methoxypentan-2-yl)amino]-2,2-difluoropropyl]carbamate?
The IUPAC name of tert-butyl N-[3-[(5-amino-1-methoxypentan-2-yl)amino]-2,2-difluoropropyl]carbamate (CID 107257458) is tert-butyl N-[3-[(5-amino-1-methoxypentan-2-yl)amino]-2,2-difluoropropyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[(5-amino-1-methoxypentan-2-yl)amino]-2,2-difluoropropyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[(5-amino-1-methoxypentan-2-yl)amino]-2,2-difluoropropyl]carbamate is COCC(CCCN)NCC(F)(F)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[3-[(5-amino-1-methoxypentan-2-yl)amino]-2,2-difluoropropyl]carbamate?
The InChIKey is LXPZTTCPDNBJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29F2N3O3/c1-13(2,3)22-12(20)19-10-14(15,16)9-18-11(8-21-4)6-5-7-17/h11,18H,5-10,17H2,1-4H3,(H,19,20).
What are the key properties of tert-butyl N-[3-[(5-amino-1-methoxypentan-2-yl)amino]-2,2-difluoropropyl]carbamate?
tert-butyl N-[3-[(5-amino-1-methoxypentan-2-yl)amino]-2,2-difluoropropyl]carbamate has a molecular weight of 325.40 g/mol, XLogP of 1.49, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[(5-amino-1-methoxypentan-2-yl)amino]-2,2-difluoropropyl]carbamate is sourced from PubChem (CID 107257458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).