tert-butyl N-[(3R)-1-(propan-2-ylamino)hex-5-en-3-yl]carbamate

C14H28N2O2 — CID 101247348

IUPACtert-butyl N-[(3R)-1-(propan-2-ylamino)hex-5-en-3-yl]carbamate
SMILESC=CC[C@H](CCNC(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C14H28N2O2/c1-7-8-12(9-10-15-11(2)3)16-13(17)18-14(4,5)6/h7,11-12,15H,1,8-10H2,2-6H3,(H,16,17)/t12-/m1/s1
InChIKeyMRWBNOXHCHZYBP-GFCCVEGCSA-N
MW256.39 g/mol
LogP2.84
Rot. Bonds7

About tert-butyl N-[(3R)-1-(propan-2-ylamino)hex-5-en-3-yl]carbamate

tert-butyl N-[(3R)-1-(propan-2-ylamino)hex-5-en-3-yl]carbamate (PubChem CID 101247348) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is tert-butyl N-[(3R)-1-(propan-2-ylamino)hex-5-en-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R)-1-(propan-2-ylamino)hex-5-en-3-yl]carbamate
PubChem CID101247348
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Nametert-butyl N-[(3R)-1-(propan-2-ylamino)hex-5-en-3-yl]carbamate
SMILESC=CC[C@H](CCNC(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C14H28N2O2/c1-7-8-12(9-10-15-11(2)3)16-13(17)18-14(4,5)6/h7,11-12,15H,1,8-10H2,2-6H3,(H,16,17)/t12-/m1/s1
InChIKeyMRWBNOXHCHZYBP-GFCCVEGCSA-N
XLogP2.84
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Tert-butyl pent-4-EN-1-ylcarbamate
CID 12181732
10-N-Boc-amino-dec-1-ene
CID 2756765
N-1-Boc-Amino-3-cyclopentene
CID 2756764
tert-Butyl cyclohex-3-enylcarbamate
CID 11063381
rac-tert-butyl N-[(1R,2S)-2-ethenylcyclopropyl]carbamate
CID 54277191
tert-Butyl cyclohex-2-en-1-ylcarbamate
CID 10012946
tert-butyl N-(2-aminopent-4-en-1-yl)carbamate
CID 130041824
Tert-butyl non-8-en-1-ylcarbamate
CID 5282584
tert-butyl N-(4-methylpent-1-en-3-yl)carbamate
CID 13905154
Tert-butyl N-[(3S)-4-methylpent-1-EN-3-YL]carbamate
CID 13905155
Carbamic acid, 5-hexenyl-, 1,1-dimethylethyl ester (9CI)
CID 42636780
(R)-4-(Boc-amino)cyclohexene
CID 66696471

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R)-1-(propan-2-ylamino)hex-5-en-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3R)-1-(propan-2-ylamino)hex-5-en-3-yl]carbamate (CID 101247348) is tert-butyl N-[(3R)-1-(propan-2-ylamino)hex-5-en-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3R)-1-(propan-2-ylamino)hex-5-en-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3R)-1-(propan-2-ylamino)hex-5-en-3-yl]carbamate is C=CC[C@H](CCNC(C)C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(3R)-1-(propan-2-ylamino)hex-5-en-3-yl]carbamate?
The InChIKey is MRWBNOXHCHZYBP-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-7-8-12(9-10-15-11(2)3)16-13(17)18-14(4,5)6/h7,11-12,15H,1,8-10H2,2-6H3,(H,16,17)/t12-/m1/s1.
What are the key properties of tert-butyl N-[(3R)-1-(propan-2-ylamino)hex-5-en-3-yl]carbamate?
tert-butyl N-[(3R)-1-(propan-2-ylamino)hex-5-en-3-yl]carbamate has a molecular weight of 256.39 g/mol, XLogP of 2.84, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R)-1-(propan-2-ylamino)hex-5-en-3-yl]carbamate is sourced from PubChem (CID 101247348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).